3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide

C20H19FN2O3S — CID 66746755

IUPAC3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide
SMILESCc1cc(-c2cc(C(N)=O)c3[nH]cc([C@@H]4CCS(=O)(=O)C4)c3c2)ccc1F
InChIInChI=1S/C20H19FN2O3S/c1-11-6-12(2-3-18(11)21)14-7-15-17(13-4-5-27(25,26)10-13)9-23-19(15)16(8-14)20(22)24/h2-3,6-9,13,23H,4-5,10H2,1H3,(H2,22,24)/t13-/m1/s1
InChIKeyFOCGQFPVONRTGK-CYBMUJFWSA-N
MW386.45 g/mol
LogP3.28
Rot. Bonds3

About 3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide

3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide (PubChem CID 66746755) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide
PubChem CID66746755
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide
SMILESCc1cc(-c2cc(C(N)=O)c3[nH]cc([C@@H]4CCS(=O)(=O)C4)c3c2)ccc1F
InChIInChI=1S/C20H19FN2O3S/c1-11-6-12(2-3-18(11)21)14-7-15-17(13-4-5-27(25,26)10-13)9-23-19(15)16(8-14)20(22)24/h2-3,6-9,13,23H,4-5,10H2,1H3,(H2,22,24)/t13-/m1/s1
InChIKeyFOCGQFPVONRTGK-CYBMUJFWSA-N
XLogP3.28
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-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

5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide
CID 66747080
3-(1,1-dioxothian-3-yl)-5-(4-fluorophenyl)-1H-indole-7-carboxamide
CID 59332691
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-methylthiophen-2-yl)-1H-indole-7-carboxamide
CID 66747184
3-(1,1-dihydroxythian-4-yl)-5-(3,4,5-trifluorophenyl)-1H-indole-7-carboxamide
CID 66746456
3-(1,1-dioxothian-4-yl)-5-(1H-indazol-5-yl)-1H-indole-7-carboxamide
CID 59332704
3-[(4S)-1,1-dihydroxy-2,2-dimethylthian-4-yl]-5-(4-fluorophenyl)-1H-indole-7-carboxamide
CID 66745950
3-(1,1-dihydroxythian-4-yl)-5-(3-fluorophenyl)-1H-indole-7-carboxamide
CID 66746181
5-[5-(azetidin-1-ylmethyl)thiophen-3-yl]-3-(1,1-dioxothiolan-3-yl)-1H-indole-7-carboxamide
CID 25072225
5-(3,4-dichlorophenyl)-3-(1,1-dihydroxythian-4-yl)-1H-indole-7-carboxamide
CID 66746128
3-(1,1-dioxothian-4-yl)-5-[5-(hydroxymethyl)thiophen-3-yl]-1H-indole-7-carboxamide
CID 66746839
3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide
CID 66746965

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide?
The IUPAC name of 3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide (CID 66746755) is 3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide?
The canonical SMILES for 3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide is Cc1cc(-c2cc(C(N)=O)c3[nH]cc([C@@H]4CCS(=O)(=O)C4)c3c2)ccc1F.
What is the InChIKey of 3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide?
The InChIKey is FOCGQFPVONRTGK-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-11-6-12(2-3-18(11)21)14-7-15-17(13-4-5-27(25,26)10-13)9-23-19(15)16(8-14)20(22)24/h2-3,6-9,13,23H,4-5,10H2,1H3,(H2,22,24)/t13-/m1/s1.
What are the key properties of 3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide?
3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide is sourced from PubChem (CID 66746755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).