N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide

C32H35N3O5S — CID 10076815

IUPACN-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cn1cc(C)c2ccc(C(=O)NCC3CCCC3)cc21
InChIInChI=1S/C32H35N3O5S/c1-21-8-4-7-11-30(21)41(38,39)34-32(37)25-12-13-26(29(17-25)40-3)20-35-19-22(2)27-15-14-24(16-28(27)35)31(36)33-18-23-9-5-6-10-23/h4,7-8,11-17,19,23H,5-6,9-10,18,20H2,1-3H3,(H,33,36)(H,34,37)
InChIKeyWSGICDHFFIZQIE-UHFFFAOYSA-N
MW573.72 g/mol
LogP5.35
Rot. Bonds9

About N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide

N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide (PubChem CID 10076815) has the molecular formula C32H35N3O5S and a molecular weight of 573.72 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide
PubChem CID10076815
Molecular FormulaC32H35N3O5S
Molecular Weight573.72 g/mol
Exact Mass573.23
IUPAC NameN-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cn1cc(C)c2ccc(C(=O)NCC3CCCC3)cc21
InChIInChI=1S/C32H35N3O5S/c1-21-8-4-7-11-30(21)41(38,39)34-32(37)25-12-13-26(29(17-25)40-3)20-35-19-22(2)27-15-14-24(16-28(27)35)31(36)33-18-23-9-5-6-10-23/h4,7-8,11-17,19,23H,5-6,9-10,18,20H2,1-3H3,(H,33,36)(H,34,37)
InChIKeyWSGICDHFFIZQIE-UHFFFAOYSA-N
XLogP5.35
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.72
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide (CID 10076815) is N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide is COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cn1cc(C)c2ccc(C(=O)NCC3CCCC3)cc21.
What is the InChIKey of N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide?
The InChIKey is WSGICDHFFIZQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O5S/c1-21-8-4-7-11-30(21)41(38,39)34-32(37)25-12-13-26(29(17-25)40-3)20-35-19-22(2)27-15-14-24(16-28(27)35)31(36)33-18-23-9-5-6-10-23/h4,7-8,11-17,19,23H,5-6,9-10,18,20H2,1-3H3,(H,33,36)(H,34,37).
What are the key properties of N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide?
N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide has a molecular weight of 573.72 g/mol, XLogP of 5.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide is sourced from PubChem (CID 10076815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).