3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide

C18H18N2O3S2 — CID 66746965

IUPAC3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2cccs2)cc2c(C3CCS(=O)(=O)CC3)c[nH]c12
InChIInChI=1S/C18H18N2O3S2/c19-18(21)14-9-12(16-2-1-5-24-16)8-13-15(10-20-17(13)14)11-3-6-25(22,23)7-4-11/h1-2,5,8-11,20H,3-4,6-7H2,(H2,19,21)
InChIKeyRWWKGOFIKQUXTH-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.29
Rot. Bonds3

About 3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide

3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide (PubChem CID 66746965) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide
PubChem CID66746965
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC Name3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2cccs2)cc2c(C3CCS(=O)(=O)CC3)c[nH]c12
InChIInChI=1S/C18H18N2O3S2/c19-18(21)14-9-12(16-2-1-5-24-16)8-13-15(10-20-17(13)14)11-3-6-25(22,23)7-4-11/h1-2,5,8-11,20H,3-4,6-7H2,(H2,19,21)
InChIKeyRWWKGOFIKQUXTH-UHFFFAOYSA-N
XLogP3.29
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dihydroxy-2,2-dimethylthian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide
CID 66746140
3-(1,1-dioxothian-4-yl)-5-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide
CID 66747184
5-(5-chlorothiophen-2-yl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide
CID 66746096
3-(1,1-dioxothian-4-yl)-5-[5-(hydroxymethyl)thiophen-3-yl]-1H-indole-7-carboxamide
CID 66746839
2-methylpropyl 4-(7-carbamoyl-5-thiophen-2-yl-1H-indol-3-yl)piperidine-1-carboxylate
CID 69475648
3-[1-[3-(4-methylpiperazin-1-yl)propylsulfanyl]piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide
CID 143205423
5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide
CID 66747080
3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-5-thiophen-2-yl-1H-indole-7-carboxamide
CID 59003292
3-(1,1-dioxothian-4-yl)-5-(1H-indazol-5-yl)-1H-indole-7-carboxamide
CID 59332704
3-(1,1-dihydroxythian-4-yl)-5-(3-fluorophenyl)-1H-indole-7-carboxamide
CID 66746181
3-(1,1-dioxothian-4-yl)-5-[5-(ethoxymethyl)furan-2-yl]-1H-indole-7-carboxamide
CID 66747106
3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide
CID 66746755

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide?
The IUPAC name of 3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide (CID 66746965) is 3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide?
The canonical SMILES for 3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide is NC(=O)c1cc(-c2cccs2)cc2c(C3CCS(=O)(=O)CC3)c[nH]c12.
What is the InChIKey of 3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide?
The InChIKey is RWWKGOFIKQUXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c19-18(21)14-9-12(16-2-1-5-24-16)8-13-15(10-20-17(13)14)11-3-6-25(22,23)7-4-11/h1-2,5,8-11,20H,3-4,6-7H2,(H2,19,21).
What are the key properties of 3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide?
3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide is sourced from PubChem (CID 66746965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).