propan-2-yl N-[4-[5-[4-[benzylcarbamoyl(methyl)amino]-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

C32H43N5O6S2 — CID 176872106

About propan-2-yl N-[4-[5-[4-[benzylcarbamoyl(methyl)amino]-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

propan-2-yl N-[4-[5-[4-[benzylcarbamoyl(methyl)amino]-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (PubChem CID 176872106) has the molecular formula C32H43N5O6S2 and a molecular weight of 657.86 g/mol. Its IUPAC name is propan-2-yl N-[4-[5-[4-[benzylcarbamoyl(methyl)amino]-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[5-[4-[benzylcarbamoyl(methyl)amino]-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
• PubChem CID: 176872106
• Molecular Formula: C32H43N5O6S2
• Molecular Weight: 657.86 g/mol
• Exact Mass: 657.27
• IUPAC Name: propan-2-yl N-[4-[5-[4-[benzylcarbamoyl(methyl)amino]-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
• SMILES: CC(C)OC(=O)NC1CCC(c2ncc(-c3ccc(N(C)C(=O)NCc4ccccc4)cc3S(=O)(=O)NC(C)(C)CO)s2)CC1
• InChI: InChI=1S/C32H43N5O6S2/c1-21(2)43-31(40)35-24-13-11-23(12-14-24)29-33-19-27(44-29)26-16-15-25(17-28(26)45(41,42)36-32(3,4)20-38)37(5)30(39)34-18-22-9-7-6-8-10-22/h6-10,15-17,19,21,23-24,36,38H,11-14,18,20H2,1-5H3,(H,34,39)(H,35,40)
• InChIKey: OQECDWOCGPGFBR-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 149.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.86
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[5-[4-[benzylcarbamoyl(methyl)amino]-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The IUPAC name of propan-2-yl N-[4-[5-[4-[benzylcarbamoyl(methyl)amino]-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (CID 176872106) is propan-2-yl N-[4-[5-[4-[benzylcarbamoyl(methyl)amino]-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

What is the SMILES notation for propan-2-yl N-[4-[5-[4-[benzylcarbamoyl(methyl)amino]-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The canonical SMILES for propan-2-yl N-[4-[5-[4-[benzylcarbamoyl(methyl)amino]-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is CC(C)OC(=O)NC1CCC(c2ncc(-c3ccc(N(C)C(=O)NCc4ccccc4)cc3S(=O)(=O)NC(C)(C)CO)s2)CC1.

What is the InChIKey of propan-2-yl N-[4-[5-[4-[benzylcarbamoyl(methyl)amino]-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The InChIKey is OQECDWOCGPGFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N5O6S2/c1-21(2)43-31(40)35-24-13-11-23(12-14-24)29-33-19-27(44-29)26-16-15-25(17-28(26)45(41,42)36-32(3,4)20-38)37(5)30(39)34-18-22-9-7-6-8-10-22/h6-10,15-17,19,21,23-24,36,38H,11-14,18,20H2,1-5H3,(H,34,39)(H,35,40).

What are the key properties of propan-2-yl N-[4-[5-[4-[benzylcarbamoyl(methyl)amino]-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

propan-2-yl N-[4-[5-[4-[benzylcarbamoyl(methyl)amino]-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate has a molecular weight of 657.86 g/mol, XLogP of 5.37, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[4-[5-[4-[benzylcarbamoyl(methyl)amino]-2-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 176872106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).