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

C18H17ClN2O3S2 — CID 66746096

IUPAC5-(5-chlorothiophen-2-yl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Cl)s2)cc2c(C3CCS(=O)(=O)CC3)c[nH]c12
InChIInChI=1S/C18H17ClN2O3S2/c19-16-2-1-15(25-16)11-7-12-14(10-3-5-26(23,24)6-4-10)9-21-17(12)13(8-11)18(20)22/h1-2,7-10,21H,3-6H2,(H2,20,22)
InChIKeyXUFRVIVVGFVWCV-UHFFFAOYSA-N
MW408.93 g/mol
LogP3.94
Rot. Bonds3

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

5-(5-chlorothiophen-2-yl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide (PubChem CID 66746096) has the molecular formula C18H17ClN2O3S2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide
PubChem CID66746096
Molecular FormulaC18H17ClN2O3S2
Molecular Weight408.93 g/mol
Exact Mass408.04
IUPAC Name5-(5-chlorothiophen-2-yl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Cl)s2)cc2c(C3CCS(=O)(=O)CC3)c[nH]c12
InChIInChI=1S/C18H17ClN2O3S2/c19-16-2-1-15(25-16)11-7-12-14(10-3-5-26(23,24)6-4-10)9-21-17(12)13(8-11)18(20)22/h1-2,7-10,21H,3-6H2,(H2,20,22)
InChIKeyXUFRVIVVGFVWCV-UHFFFAOYSA-N
XLogP3.94
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxothian-4-yl)-5-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide
CID 66747184
3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide
CID 66746965
5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide
CID 66747080
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-dioxothian-4-yl)-5-(1H-indazol-5-yl)-1H-indole-7-carboxamide
CID 59332704
5-(3,4-dichlorophenyl)-3-(1,1-dihydroxythian-4-yl)-1H-indole-7-carboxamide
CID 66746128
3-(1,1-dihydroxythian-4-yl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-indole-7-carboxamide
CID 66746921
3-(1,1-dioxothian-4-yl)-5-[5-(methoxymethyl)furan-2-yl]-1H-indole-7-carboxamide
CID 66747369
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-(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 5-(5-chlorothiophen-2-yl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide (CID 66746096) is 5-(5-chlorothiophen-2-yl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide is NC(=O)c1cc(-c2ccc(Cl)s2)cc2c(C3CCS(=O)(=O)CC3)c[nH]c12.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide?
The InChIKey is XUFRVIVVGFVWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S2/c19-16-2-1-15(25-16)11-7-12-14(10-3-5-26(23,24)6-4-10)9-21-17(12)13(8-11)18(20)22/h1-2,7-10,21H,3-6H2,(H2,20,22).
What are the key properties of 5-(5-chlorothiophen-2-yl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide?
5-(5-chlorothiophen-2-yl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide has a molecular weight of 408.93 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 66746096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).