N-[[3-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzenesulfonamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(2-oxobut-3-enyl)pyridine-2-carboxamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-5-(prop-2-enoylamino)pyridine-2-carboxamide;N-[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]sulfamoyl]phenyl]prop-2-enamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclobutane-1-carboxamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclopentane-1-carboxamide

C253H248N42O30S2 — CID 157467097

About N-[[3-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzenesulfonamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(2-oxobut-3-enyl)pyridine-2-carboxamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-5-(prop-2-enoylamino)pyridine-2-carboxamide;N-[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]sulfamoyl]phenyl]prop-2-enamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclobutane-1-carboxamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclopentane-1-carboxamide

N-[[3-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzenesulfonamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(2-oxobut-3-enyl)pyridine-2-carboxamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-5-(prop-2-enoylamino)pyridine-2-carboxamide;N-[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]sulfamoyl]phenyl]prop-2-enamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclobutane-1-carboxamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclopentane-1-carboxamide (PubChem CID 157467097) has the molecular formula C253H248N42O30S2 and a molecular weight of 4421.16 g/mol. Its IUPAC name is N-[[3-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzenesulfonamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(2-oxobut-3-enyl)pyridine-2-carboxamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-5-(prop-2-enoylamino)pyridine-2-carboxamide;N-[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]sulfamoyl]phenyl]prop-2-enamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclobutane-1-carboxamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[3-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzenesulfonamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(2-oxobut-3-enyl)pyridine-2-carboxamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-5-(prop-2-enoylamino)pyridine-2-carboxamide;N-[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]sulfamoyl]phenyl]prop-2-enamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclobutane-1-carboxamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclopentane-1-carboxamide
• PubChem CID: 157467097
• Molecular Formula: C253H248N42O30S2
• Molecular Weight: 4421.16 g/mol
• Exact Mass: 4417.86
• IUPAC Name: N-[[3-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzenesulfonamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(2-oxobut-3-enyl)pyridine-2-carboxamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-5-(prop-2-enoylamino)pyridine-2-carboxamide;N-[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]sulfamoyl]phenyl]prop-2-enamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclobutane-1-carboxamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclopentane-1-carboxamide
• SMILES: C=CC(=O)Cc1cccc(S(=O)(=O)Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C/COC3)c1.C=CC(=O)Cc1ccnc(C(=O)Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C/COC3)c1.C=CC(=O)NC1CC(C(=O)Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C\CN(C)C3)C1.C=CC(=O)NC1CCC(C(=O)Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C\CN(C)C3)C1.C=CC(=O)NCc1ccc(Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C/COC3)cc1.C=CC(=O)NCc1cccc(Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C/COC3)c1.C=CC(=O)Nc1ccc(C(=O)Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C/COC3)nc1.C=CC(=O)Nc1ccc(S(=O)(=O)Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C/COC3)cc1
• InChI: InChI=1S/C32H36N6O3.C32H29N5O4.2C32H31N5O3.C32H30N4O5S.C31H28N6O4.C31H34N6O3.C31H29N5O5S/c1-3-30(39)34-25-11-10-24(18-25)31(40)35-26-16-22-17-27(20-26)36-32-33-13-12-29(37-32)23-8-7-9-28(19-23)41-15-6-4-5-14-38(2)21-22;1-2-27(38)17-22-9-11-33-30(18-22)31(39)35-25-15-23-16-26(20-25)36-32-34-12-10-29(37-32)24-7-6-8-28(19-24)41-14-5-3-4-13-40-21-23;1-2-31(38)34-21-23-8-6-10-26(16-23)35-27-17-24-18-28(20-27)36-32-33-13-12-30(37-32)25-9-7-11-29(19-25)40-15-5-3-4-14-39-22-24;1-2-31(38)34-21-23-9-11-26(12-10-23)35-27-17-24-18-28(20-27)36-32-33-14-13-30(37-32)25-7-6-8-29(19-25)40-16-5-3-4-15-39-22-24;1-2-28(37)18-23-8-6-11-30(19-23)42(38,39)36-27-17-24-16-26(21-27)34-32-33-13-12-31(35-32)25-9-7-10-29(20-25)41-15-5-3-4-14-40-22-24;1-2-29(38)34-23-9-10-28(33-19-23)30(39)35-24-15-21-16-25(18-24)36-31-32-12-11-27(37-31)22-7-6-8-26(17-22)41-14-5-3-4-13-40-20-21;1-3-29(38)33-26-16-23(17-26)30(39)34-24-14-21-15-25(19-24)35-31-32-11-10-28(36-31)22-8-7-9-27(18-22)40-13-6-4-5-12-37(2)20-21;1-2-30(37)33-24-9-11-28(12-10-24)42(38,39)36-26-18-22-17-25(20-26)34-31-32-14-13-29(35-31)23-7-6-8-27(19-23)41-16-5-3-4-15-40-21-22/h3-5,7-9,12-13,16-17,19-20,24-25H,1,6,10-11,14-15,18,21H2,2H3,(H,34,39)(H,35,40)(H,33,36,37);2-4,6-12,15-16,18-20H,1,5,13-14,17,21H2,(H,35,39)(H,34,36,37);2-4,6-13,16-20,35H,1,5,14-15,21-22H2,(H,34,38)(H,33,36,37);2-4,6-14,17-20,35H,1,5,15-16,21-22H2,(H,34,38)(H,33,36,37);2-4,6-13,16-17,19-21,36H,1,5,14-15,18,22H2,(H,33,34,35);2-4,6-12,15-19H,1,5,13-14,20H2,(H,34,38)(H,35,39)(H,32,36,37);3-5,7-11,14-15,18-19,23,26H,1,6,12-13,16-17,20H2,2H3,(H,33,38)(H,34,39)(H,32,35,36);2-4,6-14,17-20,36H,1,5,15-16,21H2,(H,33,37)(H,32,34,35)/b5-4-;5*4-3+;5-4-;4-3+
• InChIKey: BUPLRDFSTARDRU-FPJFWVERSA-N
• XLogP: 45.03
• TPSA: 905.50 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 60
• Rotatable Bonds: 38
• Heavy Atoms: 327
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4421.16
LogP ≤ 5	45.03
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	60

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzenesulfonamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(2-oxobut-3-enyl)pyridine-2-carboxamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-5-(prop-2-enoylamino)pyridine-2-carboxamide;N-[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]sulfamoyl]phenyl]prop-2-enamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclobutane-1-carboxamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclopentane-1-carboxamide?

The IUPAC name of N-[[3-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzenesulfonamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(2-oxobut-3-enyl)pyridine-2-carboxamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-5-(prop-2-enoylamino)pyridine-2-carboxamide;N-[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]sulfamoyl]phenyl]prop-2-enamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclobutane-1-carboxamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclopentane-1-carboxamide (CID 157467097) is N-[[3-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzenesulfonamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(2-oxobut-3-enyl)pyridine-2-carboxamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-5-(prop-2-enoylamino)pyridine-2-carboxamide;N-[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]sulfamoyl]phenyl]prop-2-enamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclobutane-1-carboxamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclopentane-1-carboxamide.

What is the SMILES notation for N-[[3-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzenesulfonamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(2-oxobut-3-enyl)pyridine-2-carboxamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-5-(prop-2-enoylamino)pyridine-2-carboxamide;N-[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]sulfamoyl]phenyl]prop-2-enamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclobutane-1-carboxamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclopentane-1-carboxamide?

The canonical SMILES for N-[[3-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzenesulfonamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(2-oxobut-3-enyl)pyridine-2-carboxamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-5-(prop-2-enoylamino)pyridine-2-carboxamide;N-[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]sulfamoyl]phenyl]prop-2-enamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclobutane-1-carboxamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclopentane-1-carboxamide is C=CC(=O)Cc1cccc(S(=O)(=O)Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C/COC3)c1.C=CC(=O)Cc1ccnc(C(=O)Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C/COC3)c1.C=CC(=O)NC1CC(C(=O)Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C\CN(C)C3)C1.C=CC(=O)NC1CCC(C(=O)Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C\CN(C)C3)C1.C=CC(=O)NCc1ccc(Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C/COC3)cc1.C=CC(=O)NCc1cccc(Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C/COC3)c1.C=CC(=O)Nc1ccc(C(=O)Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C/COC3)nc1.C=CC(=O)Nc1ccc(S(=O)(=O)Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C/COC3)cc1.

What is the InChIKey of N-[[3-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzenesulfonamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(2-oxobut-3-enyl)pyridine-2-carboxamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-5-(prop-2-enoylamino)pyridine-2-carboxamide;N-[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]sulfamoyl]phenyl]prop-2-enamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclobutane-1-carboxamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclopentane-1-carboxamide?

The InChIKey is BUPLRDFSTARDRU-FPJFWVERSA-N. The full InChI is InChI=1S/C32H36N6O3.C32H29N5O4.2C32H31N5O3.C32H30N4O5S.C31H28N6O4.C31H34N6O3.C31H29N5O5S/c1-3-30(39)34-25-11-10-24(18-25)31(40)35-26-16-22-17-27(20-26)36-32-33-13-12-29(37-32)23-8-7-9-28(19-23)41-15-6-4-5-14-38(2)21-22;1-2-27(38)17-22-9-11-33-30(18-22)31(39)35-25-15-23-16-26(20-25)36-32-34-12-10-29(37-32)24-7-6-8-28(19-24)41-14-5-3-4-13-40-21-23;1-2-31(38)34-21-23-8-6-10-26(16-23)35-27-17-24-18-28(20-27)36-32-33-13-12-30(37-32)25-9-7-11-29(19-25)40-15-5-3-4-14-39-22-24;1-2-31(38)34-21-23-9-11-26(12-10-23)35-27-17-24-18-28(20-27)36-32-33-14-13-30(37-32)25-7-6-8-29(19-25)40-16-5-3-4-15-39-22-24;1-2-28(37)18-23-8-6-11-30(19-23)42(38,39)36-27-17-24-16-26(21-27)34-32-33-13-12-31(35-32)25-9-7-10-29(20-25)41-15-5-3-4-14-40-22-24;1-2-29(38)34-23-9-10-28(33-19-23)30(39)35-24-15-21-16-25(18-24)36-31-32-12-11-27(37-31)22-7-6-8-26(17-22)41-14-5-3-4-13-40-20-21;1-3-29(38)33-26-16-23(17-26)30(39)34-24-14-21-15-25(19-24)35-31-32-11-10-28(36-31)22-8-7-9-27(18-22)40-13-6-4-5-12-37(2)20-21;1-2-30(37)33-24-9-11-28(12-10-24)42(38,39)36-26-18-22-17-25(20-26)34-31-32-14-13-29(35-31)23-7-6-8-27(19-23)41-16-5-3-4-15-40-21-22/h3-5,7-9,12-13,16-17,19-20,24-25H,1,6,10-11,14-15,18,21H2,2H3,(H,34,39)(H,35,40)(H,33,36,37);2-4,6-12,15-16,18-20H,1,5,13-14,17,21H2,(H,35,39)(H,34,36,37);2-4,6-13,16-20,35H,1,5,14-15,21-22H2,(H,34,38)(H,33,36,37);2-4,6-14,17-20,35H,1,5,15-16,21-22H2,(H,34,38)(H,33,36,37);2-4,6-13,16-17,19-21,36H,1,5,14-15,18,22H2,(H,33,34,35);2-4,6-12,15-19H,1,5,13-14,20H2,(H,34,38)(H,35,39)(H,32,36,37);3-5,7-11,14-15,18-19,23,26H,1,6,12-13,16-17,20H2,2H3,(H,33,38)(H,34,39)(H,32,35,36);2-4,6-14,17-20,36H,1,5,15-16,21H2,(H,33,37)(H,32,34,35)/b5-4-;5*4-3+;5-4-;4-3+.

What are the key properties of N-[[3-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzenesulfonamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(2-oxobut-3-enyl)pyridine-2-carboxamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-5-(prop-2-enoylamino)pyridine-2-carboxamide;N-[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]sulfamoyl]phenyl]prop-2-enamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclobutane-1-carboxamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclopentane-1-carboxamide?

N-[[3-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzenesulfonamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(2-oxobut-3-enyl)pyridine-2-carboxamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-5-(prop-2-enoylamino)pyridine-2-carboxamide;N-[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]sulfamoyl]phenyl]prop-2-enamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclobutane-1-carboxamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclopentane-1-carboxamide has a molecular weight of 4421.16 g/mol, XLogP of 45.03, 38 rotatable bonds, 22 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]amino]phenyl]methyl]prop-2-enamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(2-oxobut-3-enyl)benzenesulfonamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-4-(2-oxobut-3-enyl)pyridine-2-carboxamide;N-[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-5-(prop-2-enoylamino)pyridine-2-carboxamide;N-[4-[[(16E)-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]sulfamoyl]phenyl]prop-2-enamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclobutane-1-carboxamide;N-[(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaen-10-yl]-3-(prop-2-enoylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 157467097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).