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

C32H37N3O5S — CID 10348138

IUPACN-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide
SMILESCCC(CC)CNC(=O)c1ccc2c(C)cn(Cc3ccc(C(=O)NS(=O)(=O)c4ccccc4C)cc3OC)c2c1
InChIInChI=1S/C32H37N3O5S/c1-6-23(7-2)18-33-31(36)24-14-15-27-22(4)19-35(28(27)16-24)20-26-13-12-25(17-29(26)40-5)32(37)34-41(38,39)30-11-9-8-10-21(30)3/h8-17,19,23H,6-7,18,20H2,1-5H3,(H,33,36)(H,34,37)
InChIKeyKKKICXMJEOBXGI-UHFFFAOYSA-N
MW575.73 g/mol
LogP5.60
Rot. Bonds11

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

N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide (PubChem CID 10348138) has the molecular formula C32H37N3O5S and a molecular weight of 575.73 g/mol. Its IUPAC name is N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide
PubChem CID10348138
Molecular FormulaC32H37N3O5S
Molecular Weight575.73 g/mol
Exact Mass575.25
IUPAC NameN-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide
SMILESCCC(CC)CNC(=O)c1ccc2c(C)cn(Cc3ccc(C(=O)NS(=O)(=O)c4ccccc4C)cc3OC)c2c1
InChIInChI=1S/C32H37N3O5S/c1-6-23(7-2)18-33-31(36)24-14-15-27-22(4)19-35(28(27)16-24)20-26-13-12-25(17-29(26)40-5)32(37)34-41(38,39)30-11-9-8-10-21(30)3/h8-17,19,23H,6-7,18,20H2,1-5H3,(H,33,36)(H,34,37)
InChIKeyKKKICXMJEOBXGI-UHFFFAOYSA-N
XLogP5.60
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.73
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide 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 N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide?
The IUPAC name of N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide (CID 10348138) is N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide is CCC(CC)CNC(=O)c1ccc2c(C)cn(Cc3ccc(C(=O)NS(=O)(=O)c4ccccc4C)cc3OC)c2c1.
What is the InChIKey of N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide?
The InChIKey is KKKICXMJEOBXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O5S/c1-6-23(7-2)18-33-31(36)24-14-15-27-22(4)19-35(28(27)16-24)20-26-13-12-25(17-29(26)40-5)32(37)34-41(38,39)30-11-9-8-10-21(30)3/h8-17,19,23H,6-7,18,20H2,1-5H3,(H,33,36)(H,34,37).
What are the key properties of N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide?
N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide has a molecular weight of 575.73 g/mol, XLogP of 5.60, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-1-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-3-methylindole-6-carboxamide is sourced from PubChem (CID 10348138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).