3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide

C24H22N2O3S2 — CID 59332735

IUPAC3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccsc2)cc2c([C@H]3CCS(=O)(=O)[C@@H](c4ccccc4)C3)c[nH]c12
InChIInChI=1S/C24H22N2O3S2/c25-24(27)20-11-18(17-6-8-30-14-17)10-19-21(13-26-23(19)20)16-7-9-31(28,29)22(12-16)15-4-2-1-3-5-15/h1-6,8,10-11,13-14,16,22,26H,7,9,12H2,(H2,25,27)/t16-,22+/m0/s1
InChIKeyUWQJLEUCHLCXNF-KSFYIVLOSA-N
MW450.59 g/mol
LogP5.03
Rot. Bonds4

About 3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide

3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide (PubChem CID 59332735) has the molecular formula C24H22N2O3S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide
PubChem CID59332735
Molecular FormulaC24H22N2O3S2
Molecular Weight450.59 g/mol
Exact Mass450.11
IUPAC Name3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccsc2)cc2c([C@H]3CCS(=O)(=O)[C@@H](c4ccccc4)C3)c[nH]c12
InChIInChI=1S/C24H22N2O3S2/c25-24(27)20-11-18(17-6-8-30-14-17)10-19-21(13-26-23(19)20)16-7-9-31(28,29)22(12-16)15-4-2-1-3-5-15/h1-6,8,10-11,13-14,16,22,26H,7,9,12H2,(H2,25,27)/t16-,22+/m0/s1
InChIKeyUWQJLEUCHLCXNF-KSFYIVLOSA-N
XLogP5.03
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-thiophen-3-yl-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

3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-phenyl-1H-indole-7-carboxamide;methane
CID 160775289
2-[[(2S,4R)-1,1-dioxo-2-phenylthian-4-yl]methyl]-5-thiophen-3-yl-1H-indole-7-carboxamide
CID 163451784
3-(1-oxo-2-phenylthian-4-yl)-5-phenyl-1H-indole-7-carboxamide
CID 145483626
3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide
CID 66746965
3-[(1,1-dioxothiolan-3-yl)methyl]-5-thiophen-3-yl-1H-indole-7-carboxamide
CID 59332710
3-[1-[2-(cyclopentylamino)ethylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide
CID 11627460
3-[1-[3-(4-hydroxypiperidin-1-yl)propylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide
CID 59003332
3-(1,1-dioxothian-4-yl)-5-(3,4,5-trifluorophenyl)-1H-indole-7-carboxamide
CID 66746457
3-(1,1-dioxothian-4-yl)-5-[5-(hydroxymethyl)thiophen-3-yl]-1H-indole-7-carboxamide
CID 66746839
3-(1,1-dihydroxythian-4-yl)-5-(3-fluorophenyl)-1H-indole-7-carboxamide
CID 66746181
3-(1,1-dioxothian-4-yl)-5-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide
CID 66747184
3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-5-(furan-3-yl)-1H-indole-7-carboxamide
CID 66745646

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide?
The IUPAC name of 3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide (CID 59332735) is 3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide is NC(=O)c1cc(-c2ccsc2)cc2c([C@H]3CCS(=O)(=O)[C@@H](c4ccccc4)C3)c[nH]c12.
What is the InChIKey of 3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide?
The InChIKey is UWQJLEUCHLCXNF-KSFYIVLOSA-N. The full InChI is InChI=1S/C24H22N2O3S2/c25-24(27)20-11-18(17-6-8-30-14-17)10-19-21(13-26-23(19)20)16-7-9-31(28,29)22(12-16)15-4-2-1-3-5-15/h1-6,8,10-11,13-14,16,22,26H,7,9,12H2,(H2,25,27)/t16-,22+/m0/s1.
What are the key properties of 3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide?
3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide has a molecular weight of 450.59 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide is sourced from PubChem (CID 59332735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).