propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(1R)-1-phenylethyl]carbamoylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1-phenylethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2S)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2R)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-3-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-4-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;[(2S)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate;[(2R)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate

C240H292N44O44S16 — CID 164974970

IUPACpropan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(1R)-1-phenylethyl]carbamoylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1-phenylethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2S)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2R)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-3-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-4-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;[(2S)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate;[(2R)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)NC(C)c4ccccc4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)NCc4cccnn4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)NCc4ccnnc4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)N[C@H](C)c4ccccc4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)OC[C@@H]4CCCCN4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)OC[C@@H]4CCCN4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)OC[C@H]4CCCCN4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)OC[C@H]4CCCN4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1
InChIInChI=1S/2C32H37N5O5S2.2C30H39N5O6S2.2C29H33N7O5S2.2C29H37N5O6S2/c2*1-20(2)42-31(39)36-24-14-12-23(13-15-24)29-33-19-27(43-29)26-17-16-25(18-28(26)44(40,41)37-32(4,5)6)35-30(38)34-21(3)22-10-8-7-9-11-22;2*1-19(2)41-29(37)33-21-11-9-20(10-12-21)27-32-17-25(42-27)24-14-13-22(16-26(24)43(38,39)35-30(3,4)5)34-28(36)40-18-23-8-6-7-15-31-23;1-18(2)41-28(38)35-21-8-6-20(7-9-21)26-30-17-24(42-26)23-11-10-22(14-25(23)43(39,40)36-29(3,4)5)34-27(37)31-15-19-12-13-32-33-16-19;1-18(2)41-28(38)34-20-10-8-19(9-11-20)26-30-17-24(42-26)23-13-12-21(15-25(23)43(39,40)36-29(3,4)5)33-27(37)31-16-22-7-6-14-32-35-22;2*1-18(2)40-28(36)32-20-10-8-19(9-11-20)26-31-16-24(41-26)23-13-12-21(15-25(23)42(37,38)34-29(3,4)5)33-27(35)39-17-22-7-6-14-30-22/h2*7-21,37H,1-6H3,(H,36,39)(H2,34,35,38);2*9-14,16-17,19,23,31,35H,6-8,15,18H2,1-5H3,(H,33,37)(H,34,36);6-14,16-18,36H,15H2,1-5H3,(H,35,38)(H2,31,34,37);6-15,17-18,36H,16H2,1-5H3,(H,34,38)(H2,31,33,37);2*8-13,15-16,18,22,30,34H,6-7,14,17H2,1-5H3,(H,32,36)(H,33,35)/t21-;;2*23-;;;2*22-/m1.10..10/s1
InChIKeyDQMIHABVPQRKLY-FOCZPBDNSA-N
MW5010.31 g/mol
LogP50.06
Rot. Bonds72

About propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(1R)-1-phenylethyl]carbamoylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1-phenylethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2S)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2R)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-3-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-4-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;[(2S)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate;[(2R)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate

propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(1R)-1-phenylethyl]carbamoylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1-phenylethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2S)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2R)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-3-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-4-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;[(2S)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate;[(2R)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate (PubChem CID 164974970) has the molecular formula C240H292N44O44S16 and a molecular weight of 5010.31 g/mol. Its IUPAC name is propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(1R)-1-phenylethyl]carbamoylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1-phenylethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2S)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2R)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-3-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-4-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;[(2S)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate;[(2R)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(1R)-1-phenylethyl]carbamoylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1-phenylethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2S)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2R)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-3-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-4-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;[(2S)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate;[(2R)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate
PubChem CID164974970
Molecular FormulaC240H292N44O44S16
Molecular Weight5010.31 g/mol
Exact Mass5005.75
IUPAC Namepropan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(1R)-1-phenylethyl]carbamoylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1-phenylethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2S)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2R)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-3-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-4-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;[(2S)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate;[(2R)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)NC(C)c4ccccc4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)NCc4cccnn4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)NCc4ccnnc4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)N[C@H](C)c4ccccc4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)OC[C@@H]4CCCCN4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)OC[C@@H]4CCCN4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)OC[C@H]4CCCCN4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)OC[C@H]4CCCN4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1
InChIInChI=1S/2C32H37N5O5S2.2C30H39N5O6S2.2C29H33N7O5S2.2C29H37N5O6S2/c2*1-20(2)42-31(39)36-24-14-12-23(13-15-24)29-33-19-27(43-29)26-17-16-25(18-28(26)44(40,41)37-32(4,5)6)35-30(38)34-21(3)22-10-8-7-9-11-22;2*1-19(2)41-29(37)33-21-11-9-20(10-12-21)27-32-17-25(42-27)24-14-13-22(16-26(24)43(38,39)35-30(3,4)5)34-28(36)40-18-23-8-6-7-15-31-23;1-18(2)41-28(38)35-21-8-6-20(7-9-21)26-30-17-24(42-26)23-11-10-22(14-25(23)43(39,40)36-29(3,4)5)34-27(37)31-15-19-12-13-32-33-16-19;1-18(2)41-28(38)34-20-10-8-19(9-11-20)26-30-17-24(42-26)23-13-12-21(15-25(23)43(39,40)36-29(3,4)5)33-27(37)31-16-22-7-6-14-32-35-22;2*1-18(2)40-28(36)32-20-10-8-19(9-11-20)26-31-16-24(41-26)23-13-12-21(15-25(23)42(37,38)34-29(3,4)5)33-27(35)39-17-22-7-6-14-30-22/h2*7-21,37H,1-6H3,(H,36,39)(H2,34,35,38);2*9-14,16-17,19,23,31,35H,6-8,15,18H2,1-5H3,(H,33,37)(H,34,36);6-14,16-18,36H,15H2,1-5H3,(H,35,38)(H2,31,34,37);6-15,17-18,36H,16H2,1-5H3,(H,34,38)(H2,31,33,37);2*8-13,15-16,18,22,30,34H,6-7,14,17H2,1-5H3,(H,32,36)(H,33,35)/t21-;;2*23-;;;2*22-/m1.10..10/s1
InChIKeyDQMIHABVPQRKLY-FOCZPBDNSA-N
XLogP50.06
TPSA1196.64 Ų
H-Bond Donors32
H-Bond Acceptors68
Rotatable Bonds72
Heavy Atoms344
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005010.31
LogP ≤ 550.06
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1068

Analyze propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(1R)-1-phenylethyl]carbamoylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1-phenylethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2S)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2R)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-3-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-4-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;[(2S)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate;[(2R)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(1R)-1-phenylethyl]carbamoylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1-phenylethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2S)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2R)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-3-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-4-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;[(2S)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate;[(2R)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(1R)-1-phenylethyl]carbamoylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1-phenylethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2S)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2R)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-3-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-4-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;[(2S)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate;[(2R)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate (CID 164974970) is propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(1R)-1-phenylethyl]carbamoylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1-phenylethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2S)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2R)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-3-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-4-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;[(2S)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate;[(2R)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(1R)-1-phenylethyl]carbamoylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1-phenylethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2S)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2R)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-3-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-4-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;[(2S)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate;[(2R)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(1R)-1-phenylethyl]carbamoylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1-phenylethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2S)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2R)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-3-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-4-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;[(2S)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate;[(2R)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)NC(C)c4ccccc4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)NCc4cccnn4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)NCc4ccnnc4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)N[C@H](C)c4ccccc4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)OC[C@@H]4CCCCN4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)OC[C@@H]4CCCN4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)OC[C@H]4CCCCN4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.CC(C)OC(=O)Nc1ccc(-c2ncc(-c3ccc(NC(=O)OC[C@H]4CCCN4)cc3S(=O)(=O)NC(C)(C)C)s2)cc1.
What is the InChIKey of propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(1R)-1-phenylethyl]carbamoylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1-phenylethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2S)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2R)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-3-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-4-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;[(2S)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate;[(2R)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate?
The InChIKey is DQMIHABVPQRKLY-FOCZPBDNSA-N. The full InChI is InChI=1S/2C32H37N5O5S2.2C30H39N5O6S2.2C29H33N7O5S2.2C29H37N5O6S2/c2*1-20(2)42-31(39)36-24-14-12-23(13-15-24)29-33-19-27(43-29)26-17-16-25(18-28(26)44(40,41)37-32(4,5)6)35-30(38)34-21(3)22-10-8-7-9-11-22;2*1-19(2)41-29(37)33-21-11-9-20(10-12-21)27-32-17-25(42-27)24-14-13-22(16-26(24)43(38,39)35-30(3,4)5)34-28(36)40-18-23-8-6-7-15-31-23;1-18(2)41-28(38)35-21-8-6-20(7-9-21)26-30-17-24(42-26)23-11-10-22(14-25(23)43(39,40)36-29(3,4)5)34-27(37)31-15-19-12-13-32-33-16-19;1-18(2)41-28(38)34-20-10-8-19(9-11-20)26-30-17-24(42-26)23-13-12-21(15-25(23)43(39,40)36-29(3,4)5)33-27(37)31-16-22-7-6-14-32-35-22;2*1-18(2)40-28(36)32-20-10-8-19(9-11-20)26-31-16-24(41-26)23-13-12-21(15-25(23)42(37,38)34-29(3,4)5)33-27(35)39-17-22-7-6-14-30-22/h2*7-21,37H,1-6H3,(H,36,39)(H2,34,35,38);2*9-14,16-17,19,23,31,35H,6-8,15,18H2,1-5H3,(H,33,37)(H,34,36);6-14,16-18,36H,15H2,1-5H3,(H,35,38)(H2,31,34,37);6-15,17-18,36H,16H2,1-5H3,(H,34,38)(H2,31,33,37);2*8-13,15-16,18,22,30,34H,6-7,14,17H2,1-5H3,(H,32,36)(H,33,35)/t21-;;2*23-;;;2*22-/m1.10..10/s1.
What are the key properties of propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(1R)-1-phenylethyl]carbamoylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1-phenylethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2S)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2R)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-3-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-4-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;[(2S)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate;[(2R)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate?
propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(1R)-1-phenylethyl]carbamoylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1-phenylethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2S)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2R)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-3-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-4-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;[(2S)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate;[(2R)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate has a molecular weight of 5010.31 g/mol, XLogP of 50.06, 72 rotatable bonds, 32 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(1R)-1-phenylethyl]carbamoylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(1-phenylethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2S)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-[[(2R)-piperidin-2-yl]methoxycarbonylamino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-3-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)-4-(pyridazin-4-ylmethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]phenyl]carbamate;[(2S)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate;[(2R)-pyrrolidin-2-yl]methyl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)phenyl]-1,3-thiazol-5-yl]phenyl]carbamate is sourced from PubChem (CID 164974970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).