cyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate

C31H31N3O7S — CID 15013740

IUPACcyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1Cn1cc(C(C)=O)c2ccc(NC(=O)OC3CCCC3)cc21
InChIInChI=1S/C31H31N3O7S/c1-20(35)27-19-34(28-17-23(14-15-26(27)28)32-31(37)41-24-8-6-7-9-24)18-22-13-12-21(16-29(22)40-2)30(36)33-42(38,39)25-10-4-3-5-11-25/h3-5,10-17,19,24H,6-9,18H2,1-2H3,(H,32,37)(H,33,36)
InChIKeyIMCBBTYAKMUOIH-UHFFFAOYSA-N
MW589.67 g/mol
LogP5.51
Rot. Bonds9

About cyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate

cyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate (PubChem CID 15013740) has the molecular formula C31H31N3O7S and a molecular weight of 589.67 g/mol. Its IUPAC name is cyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate
PubChem CID15013740
Molecular FormulaC31H31N3O7S
Molecular Weight589.67 g/mol
Exact Mass589.19
IUPAC Namecyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1Cn1cc(C(C)=O)c2ccc(NC(=O)OC3CCCC3)cc21
InChIInChI=1S/C31H31N3O7S/c1-20(35)27-19-34(28-17-23(14-15-26(27)28)32-31(37)41-24-8-6-7-9-24)18-22-13-12-21(16-29(22)40-2)30(36)33-42(38,39)25-10-4-3-5-11-25/h3-5,10-17,19,24H,6-9,18H2,1-2H3,(H,32,37)(H,33,36)
InChIKeyIMCBBTYAKMUOIH-UHFFFAOYSA-N
XLogP5.51
TPSA132.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.67
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze cyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate?
The IUPAC name of cyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate (CID 15013740) is cyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate.
What is the SMILES notation for cyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate?
The canonical SMILES for cyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate is COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1Cn1cc(C(C)=O)c2ccc(NC(=O)OC3CCCC3)cc21.
What is the InChIKey of cyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate?
The InChIKey is IMCBBTYAKMUOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O7S/c1-20(35)27-19-34(28-17-23(14-15-26(27)28)32-31(37)41-24-8-6-7-9-24)18-22-13-12-21(16-29(22)40-2)30(36)33-42(38,39)25-10-4-3-5-11-25/h3-5,10-17,19,24H,6-9,18H2,1-2H3,(H,32,37)(H,33,36).
What are the key properties of cyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate?
cyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate has a molecular weight of 589.67 g/mol, XLogP of 5.51, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate is sourced from PubChem (CID 15013740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).