S-[2-[6-[[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-(2-morpholin-4-ylethoxy)phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[4-(3-piperidin-1-ylpropylamino)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-2-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-3-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate

C152H169N23O35S14 — CID 159552448

IUPACS-[2-[6-[[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-(2-morpholin-4-ylethoxy)phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[4-(3-piperidin-1-ylpropylamino)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-2-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-3-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
SMILESCC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(NCCCN3CCCCC3)cc2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCCN3CCC(N(C)C)C3)cc2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCCN3CCCCC3C)cc2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCN3CCOCC3)cc2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccn3)cc2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3cccnc3)cc2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccncc3)cc2)nc1
InChIInChI=1S/C24H32N4O5S2.C24H31N3O5S2.C23H30N4O4S2.C21H25N3O6S2.3C20H17N3O5S2/c1-18(29)34-17-23(30)19-5-10-24(25-15-19)26-35(31,32)22-8-6-21(7-9-22)33-14-4-12-28-13-11-20(16-28)27(2)3;1-18-6-3-4-13-27(18)14-5-15-32-21-8-10-22(11-9-21)34(30,31)26-24-12-7-20(16-25-24)23(29)17-33-19(2)28;1-18(28)32-17-22(29)19-6-11-23(25-16-19)26-33(30,31)21-9-7-20(8-10-21)24-12-5-15-27-13-3-2-4-14-27;1-16(25)31-15-20(26)17-2-7-21(22-14-17)23-32(27,28)19-5-3-18(4-6-19)30-13-10-24-8-11-29-12-9-24;1-14(24)29-13-19(25)15-2-7-20(22-12-15)23-30(26,27)18-5-3-16(4-6-18)28-17-8-10-21-11-9-17;1-14(24)29-13-19(25)15-4-9-20(22-11-15)23-30(26,27)18-7-5-16(6-8-18)28-17-3-2-10-21-12-17;1-14(24)29-13-18(25)15-5-10-19(22-12-15)23-30(26,27)17-8-6-16(7-9-17)28-20-4-2-3-11-21-20/h5-10,15,20H,4,11-14,16-17H2,1-3H3,(H,25,26);7-12,16,18H,3-6,13-15,17H2,1-2H3,(H,25,26);6-11,16,24H,2-5,12-15,17H2,1H3,(H,25,26);2-7,14H,8-13,15H2,1H3,(H,22,23);3*2-12H,13H2,1H3,(H,22,23)
InChIKeyMFOHFBWOVPQVDH-UHFFFAOYSA-N
MW3327.09 g/mol
LogP23.02
Rot. Bonds68

About S-[2-[6-[[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-(2-morpholin-4-ylethoxy)phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[4-(3-piperidin-1-ylpropylamino)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-2-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-3-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate

S-[2-[6-[[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-(2-morpholin-4-ylethoxy)phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[4-(3-piperidin-1-ylpropylamino)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-2-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-3-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate (PubChem CID 159552448) has the molecular formula C152H169N23O35S14 and a molecular weight of 3327.09 g/mol. Its IUPAC name is S-[2-[6-[[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-(2-morpholin-4-ylethoxy)phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[4-(3-piperidin-1-ylpropylamino)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-2-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-3-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate.

Molecular Properties

Compound NameS-[2-[6-[[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-(2-morpholin-4-ylethoxy)phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[4-(3-piperidin-1-ylpropylamino)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-2-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-3-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
PubChem CID159552448
Molecular FormulaC152H169N23O35S14
Molecular Weight3327.09 g/mol
Exact Mass3323.82
IUPAC NameS-[2-[6-[[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-(2-morpholin-4-ylethoxy)phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[4-(3-piperidin-1-ylpropylamino)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-2-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-3-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate
SMILESCC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(NCCCN3CCCCC3)cc2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCCN3CCC(N(C)C)C3)cc2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCCN3CCCCC3C)cc2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCN3CCOCC3)cc2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccn3)cc2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3cccnc3)cc2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccncc3)cc2)nc1
InChIInChI=1S/C24H32N4O5S2.C24H31N3O5S2.C23H30N4O4S2.C21H25N3O6S2.3C20H17N3O5S2/c1-18(29)34-17-23(30)19-5-10-24(25-15-19)26-35(31,32)22-8-6-21(7-9-22)33-14-4-12-28-13-11-20(16-28)27(2)3;1-18-6-3-4-13-27(18)14-5-15-32-21-8-10-22(11-9-21)34(30,31)26-24-12-7-20(16-25-24)23(29)17-33-19(2)28;1-18(28)32-17-22(29)19-6-11-23(25-16-19)26-33(30,31)21-9-7-20(8-10-21)24-12-5-15-27-13-3-2-4-14-27;1-16(25)31-15-20(26)17-2-7-21(22-14-17)23-32(27,28)19-5-3-18(4-6-19)30-13-10-24-8-11-29-12-9-24;1-14(24)29-13-19(25)15-2-7-20(22-12-15)23-30(26,27)18-5-3-16(4-6-18)28-17-8-10-21-11-9-17;1-14(24)29-13-19(25)15-4-9-20(22-11-15)23-30(26,27)18-7-5-16(6-8-18)28-17-3-2-10-21-12-17;1-14(24)29-13-18(25)15-5-10-19(22-12-15)23-30(26,27)17-8-6-16(7-9-17)28-20-4-2-3-11-21-20/h5-10,15,20H,4,11-14,16-17H2,1-3H3,(H,25,26);7-12,16,18H,3-6,13-15,17H2,1-2H3,(H,25,26);6-11,16,24H,2-5,12-15,17H2,1H3,(H,25,26);2-7,14H,8-13,15H2,1H3,(H,22,23);3*2-12H,13H2,1H3,(H,22,23)
InChIKeyMFOHFBWOVPQVDH-UHFFFAOYSA-N
XLogP23.02
TPSA783.91 Ų
H-Bond Donors8
H-Bond Acceptors58
Rotatable Bonds68
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003327.09
LogP ≤ 523.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze S-[2-[6-[[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-(2-morpholin-4-ylethoxy)phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[4-(3-piperidin-1-ylpropylamino)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-2-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-3-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate with MolForge

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Frequently Asked Questions

What is the IUPAC name of S-[2-[6-[[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-(2-morpholin-4-ylethoxy)phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[4-(3-piperidin-1-ylpropylamino)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-2-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-3-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate?
The IUPAC name of S-[2-[6-[[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-(2-morpholin-4-ylethoxy)phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[4-(3-piperidin-1-ylpropylamino)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-2-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-3-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate (CID 159552448) is S-[2-[6-[[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-(2-morpholin-4-ylethoxy)phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[4-(3-piperidin-1-ylpropylamino)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-2-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-3-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate.
What is the SMILES notation for S-[2-[6-[[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-(2-morpholin-4-ylethoxy)phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[4-(3-piperidin-1-ylpropylamino)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-2-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-3-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate?
The canonical SMILES for S-[2-[6-[[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-(2-morpholin-4-ylethoxy)phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[4-(3-piperidin-1-ylpropylamino)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-2-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-3-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate is CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(NCCCN3CCCCC3)cc2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCCN3CCC(N(C)C)C3)cc2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCCN3CCCCC3C)cc2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCN3CCOCC3)cc2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccn3)cc2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3cccnc3)cc2)nc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccncc3)cc2)nc1.
What is the InChIKey of S-[2-[6-[[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-(2-morpholin-4-ylethoxy)phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[4-(3-piperidin-1-ylpropylamino)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-2-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-3-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate?
The InChIKey is MFOHFBWOVPQVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5S2.C24H31N3O5S2.C23H30N4O4S2.C21H25N3O6S2.3C20H17N3O5S2/c1-18(29)34-17-23(30)19-5-10-24(25-15-19)26-35(31,32)22-8-6-21(7-9-22)33-14-4-12-28-13-11-20(16-28)27(2)3;1-18-6-3-4-13-27(18)14-5-15-32-21-8-10-22(11-9-21)34(30,31)26-24-12-7-20(16-25-24)23(29)17-33-19(2)28;1-18(28)32-17-22(29)19-6-11-23(25-16-19)26-33(30,31)21-9-7-20(8-10-21)24-12-5-15-27-13-3-2-4-14-27;1-16(25)31-15-20(26)17-2-7-21(22-14-17)23-32(27,28)19-5-3-18(4-6-19)30-13-10-24-8-11-29-12-9-24;1-14(24)29-13-19(25)15-2-7-20(22-12-15)23-30(26,27)18-5-3-16(4-6-18)28-17-8-10-21-11-9-17;1-14(24)29-13-19(25)15-4-9-20(22-11-15)23-30(26,27)18-7-5-16(6-8-18)28-17-3-2-10-21-12-17;1-14(24)29-13-18(25)15-5-10-19(22-12-15)23-30(26,27)17-8-6-16(7-9-17)28-20-4-2-3-11-21-20/h5-10,15,20H,4,11-14,16-17H2,1-3H3,(H,25,26);7-12,16,18H,3-6,13-15,17H2,1-2H3,(H,25,26);6-11,16,24H,2-5,12-15,17H2,1H3,(H,25,26);2-7,14H,8-13,15H2,1H3,(H,22,23);3*2-12H,13H2,1H3,(H,22,23).
What are the key properties of S-[2-[6-[[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-(2-morpholin-4-ylethoxy)phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[4-(3-piperidin-1-ylpropylamino)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-2-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-3-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate?
S-[2-[6-[[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-(2-morpholin-4-ylethoxy)phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[4-(3-piperidin-1-ylpropylamino)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-2-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-3-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate has a molecular weight of 3327.09 g/mol, XLogP of 23.02, 68 rotatable bonds, 8 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-[6-[[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-[6-[[4-(2-morpholin-4-ylethoxy)phenyl]sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[6-[[4-(3-piperidin-1-ylpropylamino)phenyl]sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-2-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-3-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate;S-[2-oxo-2-[6-[(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-pyridinyl]ethyl] ethanethioate is sourced from PubChem (CID 159552448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).