3-[(1,1-dioxothiolan-3-yl)methyl]-5-thiophen-3-yl-1H-indole-7-carboxamide

C18H18N2O3S2 — CID 59332710

IUPAC3-[(1,1-dioxothiolan-3-yl)methyl]-5-thiophen-3-yl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccsc2)cc2c(CC3CCS(=O)(=O)C3)c[nH]c12
InChIInChI=1S/C18H18N2O3S2/c19-18(21)16-7-13(12-1-3-24-9-12)6-15-14(8-20-17(15)16)5-11-2-4-25(22,23)10-11/h1,3,6-9,11,20H,2,4-5,10H2,(H2,19,21)
InChIKeyGXCTXOOUWLWSSH-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.97
Rot. Bonds4

About 3-[(1,1-dioxothiolan-3-yl)methyl]-5-thiophen-3-yl-1H-indole-7-carboxamide

3-[(1,1-dioxothiolan-3-yl)methyl]-5-thiophen-3-yl-1H-indole-7-carboxamide (PubChem CID 59332710) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)methyl]-5-thiophen-3-yl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)methyl]-5-thiophen-3-yl-1H-indole-7-carboxamide
PubChem CID59332710
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC Name3-[(1,1-dioxothiolan-3-yl)methyl]-5-thiophen-3-yl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccsc2)cc2c(CC3CCS(=O)(=O)C3)c[nH]c12
InChIInChI=1S/C18H18N2O3S2/c19-18(21)16-7-13(12-1-3-24-9-12)6-15-14(8-20-17(15)16)5-11-2-4-25(22,23)10-11/h1,3,6-9,11,20H,2,4-5,10H2,(H2,19,21)
InChIKeyGXCTXOOUWLWSSH-UHFFFAOYSA-N
XLogP2.97
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-[(1,1-dioxothian-4-yl)methyl]-1H-indole-7-carboxamide
CID 59332646
3-[(2R,4S)-1,1-dioxo-2-phenylthian-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide
CID 59332735
3-(1,1-dioxothian-4-yl)-5-[5-(hydroxymethyl)thiophen-3-yl]-1H-indole-7-carboxamide
CID 66746839
2-[[(2S,4R)-1,1-dioxo-2-phenylthian-4-yl]methyl]-5-thiophen-3-yl-1H-indole-7-carboxamide
CID 163451784
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-thiophen-2-yl-1H-indole-7-carboxamide
CID 66746965
3-(1,1-dioxothian-3-yl)-5-(4-fluorophenyl)-1H-indole-7-carboxamide
CID 59332691
5-[5-(azetidin-1-ylmethyl)thiophen-3-yl]-3-(1,1-dioxothiolan-3-yl)-1H-indole-7-carboxamide
CID 25072225
3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide
CID 66746755
3-[1-[2-(cyclopentylamino)ethylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1H-indole-7-carboxamide
CID 11627460
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

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)methyl]-5-thiophen-3-yl-1H-indole-7-carboxamide?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)methyl]-5-thiophen-3-yl-1H-indole-7-carboxamide (CID 59332710) is 3-[(1,1-dioxothiolan-3-yl)methyl]-5-thiophen-3-yl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)methyl]-5-thiophen-3-yl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)methyl]-5-thiophen-3-yl-1H-indole-7-carboxamide is NC(=O)c1cc(-c2ccsc2)cc2c(CC3CCS(=O)(=O)C3)c[nH]c12.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)methyl]-5-thiophen-3-yl-1H-indole-7-carboxamide?
The InChIKey is GXCTXOOUWLWSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c19-18(21)16-7-13(12-1-3-24-9-12)6-15-14(8-20-17(15)16)5-11-2-4-25(22,23)10-11/h1,3,6-9,11,20H,2,4-5,10H2,(H2,19,21).
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)methyl]-5-thiophen-3-yl-1H-indole-7-carboxamide?
3-[(1,1-dioxothiolan-3-yl)methyl]-5-thiophen-3-yl-1H-indole-7-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)methyl]-5-thiophen-3-yl-1H-indole-7-carboxamide is sourced from PubChem (CID 59332710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).