cyclopentyl N-[3-[2-(7-chloroquinolin-2-yl)-1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]carbamate

C40H37ClN4O6S — CID 54317711

About cyclopentyl N-[3-[2-(7-chloroquinolin-2-yl)-1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]carbamate

cyclopentyl N-[3-[2-(7-chloroquinolin-2-yl)-1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]carbamate (PubChem CID 54317711) has the molecular formula C40H37ClN4O6S and a molecular weight of 737.28 g/mol. Its IUPAC name is cyclopentyl N-[3-[2-(7-chloroquinolin-2-yl)-1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]carbamate.

Molecular Properties

• Compound Name: cyclopentyl N-[3-[2-(7-chloroquinolin-2-yl)-1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]carbamate
• PubChem CID: 54317711
• Molecular Formula: C40H37ClN4O6S
• Molecular Weight: 737.28 g/mol
• Exact Mass: 736.21
• IUPAC Name: cyclopentyl N-[3-[2-(7-chloroquinolin-2-yl)-1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]carbamate
• SMILES: COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1C(Cc1ccc2ccc(Cl)cc2n1)c1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12
• InChI: InChI=1S/C40H37ClN4O6S/c1-24-7-3-6-10-38(24)52(48,49)45-39(46)26-13-17-31(37(19-26)50-2)32(21-28-15-12-25-11-14-27(41)20-36(25)43-28)34-23-42-35-18-16-29(22-33(34)35)44-40(47)51-30-8-4-5-9-30/h3,6-7,10-20,22-23,30,32,42H,4-5,8-9,21H2,1-2H3,(H,44,47)(H,45,46)
• InChIKey: SPKMKNWELWDSFV-UHFFFAOYSA-N
• XLogP: 8.67
• TPSA: 139.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.28
LogP ≤ 5	8.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[3-[2-(7-chloroquinolin-2-yl)-1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]carbamate?

The IUPAC name of cyclopentyl N-[3-[2-(7-chloroquinolin-2-yl)-1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]carbamate (CID 54317711) is cyclopentyl N-[3-[2-(7-chloroquinolin-2-yl)-1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]carbamate.

What is the SMILES notation for cyclopentyl N-[3-[2-(7-chloroquinolin-2-yl)-1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]carbamate?

The canonical SMILES for cyclopentyl N-[3-[2-(7-chloroquinolin-2-yl)-1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]carbamate is COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1C(Cc1ccc2ccc(Cl)cc2n1)c1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12.

What is the InChIKey of cyclopentyl N-[3-[2-(7-chloroquinolin-2-yl)-1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]carbamate?

The InChIKey is SPKMKNWELWDSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37ClN4O6S/c1-24-7-3-6-10-38(24)52(48,49)45-39(46)26-13-17-31(37(19-26)50-2)32(21-28-15-12-25-11-14-27(41)20-36(25)43-28)34-23-42-35-18-16-29(22-33(34)35)44-40(47)51-30-8-4-5-9-30/h3,6-7,10-20,22-23,30,32,42H,4-5,8-9,21H2,1-2H3,(H,44,47)(H,45,46).

What are the key properties of cyclopentyl N-[3-[2-(7-chloroquinolin-2-yl)-1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]carbamate?

cyclopentyl N-[3-[2-(7-chloroquinolin-2-yl)-1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]carbamate has a molecular weight of 737.28 g/mol, XLogP of 8.67, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl N-[3-[2-(7-chloroquinolin-2-yl)-1-[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]-1H-indol-5-yl]carbamate is sourced from PubChem (CID 54317711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).