3-(1,1-dioxothian-4-yl)-5-phenyl-1H-indole-7-carboxamide

C20H20N2O3S — CID 24944518

IUPAC3-(1,1-dioxothian-4-yl)-5-phenyl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCS(=O)(=O)CC3)c[nH]c12
InChIInChI=1S/C20H20N2O3S/c21-20(23)17-11-15(13-4-2-1-3-5-13)10-16-18(12-22-19(16)17)14-6-8-26(24,25)9-7-14/h1-5,10-12,14,22H,6-9H2,(H2,21,23)
InChIKeyXNXQMKGGFGDFEC-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.23
Rot. Bonds3

About 3-(1,1-dioxothian-4-yl)-5-phenyl-1H-indole-7-carboxamide

3-(1,1-dioxothian-4-yl)-5-phenyl-1H-indole-7-carboxamide (PubChem CID 24944518) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-(1,1-dioxothian-4-yl)-5-phenyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-(1,1-dioxothian-4-yl)-5-phenyl-1H-indole-7-carboxamide
PubChem CID24944518
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name3-(1,1-dioxothian-4-yl)-5-phenyl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCS(=O)(=O)CC3)c[nH]c12
InChIInChI=1S/C20H20N2O3S/c21-20(23)17-11-15(13-4-2-1-3-5-13)10-16-18(12-22-19(16)17)14-6-8-26(24,25)9-7-14/h1-5,10-12,14,22H,6-9H2,(H2,21,23)
InChIKeyXNXQMKGGFGDFEC-UHFFFAOYSA-N
XLogP3.23
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1,1-dioxothian-4-yl)-5-phenyl-1H-indole-7-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

IKK-beta inhibitor R-28
CID 59332591
3-[4-(4-Phenyl-piperidin-1-yl)-butyl]-1H-indole-5-carboxylic acid amide
CID 11291810
3-{4-[4-(2-Carbamoyl-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11384601
N-(2,6-dimethylphenyl)-1H-indole-3-carboxamide
CID 1485567
3-{1-[(4-chlorophenyl)sulfonyl]-4-piperidinyl}-5-phenyl-1H-indole-7-carboxamide
CID 11156148
5-phenyl-3-(3-piperidinyl)-1H-indole-7-carboxamide
CID 11186250
5-phenyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 11304835
5-{4-[(methylsulfonyl)amino]phenyl}-1H-indole-7-carboxamide
CID 11336440
3-[1-(ethanesulfonyl)-4-piperidinyl]-5-phenyl-1H-indole-7-carboxamide
CID 11350427
5-Phenyl-3-(4-piperidinyl)-1H-indole-7-carboxamide
CID 11427162
5-phenyl-3-[1-(propylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide
CID 11453049
3-(1-{[2-(dimethylamino)ethyl]sulfonyl}-4-piperidinyl)-5-phenyl-1H-indole-7-carboxamide
CID 11496203

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-4-yl)-5-phenyl-1H-indole-7-carboxamide?
The IUPAC name of 3-(1,1-dioxothian-4-yl)-5-phenyl-1H-indole-7-carboxamide (CID 24944518) is 3-(1,1-dioxothian-4-yl)-5-phenyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-(1,1-dioxothian-4-yl)-5-phenyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-(1,1-dioxothian-4-yl)-5-phenyl-1H-indole-7-carboxamide is NC(=O)c1cc(-c2ccccc2)cc2c(C3CCS(=O)(=O)CC3)c[nH]c12.
What is the InChIKey of 3-(1,1-dioxothian-4-yl)-5-phenyl-1H-indole-7-carboxamide?
The InChIKey is XNXQMKGGFGDFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c21-20(23)17-11-15(13-4-2-1-3-5-13)10-16-18(12-22-19(16)17)14-6-8-26(24,25)9-7-14/h1-5,10-12,14,22H,6-9H2,(H2,21,23).
What are the key properties of 3-(1,1-dioxothian-4-yl)-5-phenyl-1H-indole-7-carboxamide?
3-(1,1-dioxothian-4-yl)-5-phenyl-1H-indole-7-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothian-4-yl)-5-phenyl-1H-indole-7-carboxamide is sourced from PubChem (CID 24944518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).