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

C19H20N2O3S2 — CID 66747184

IUPAC3-(1,1-dioxothian-4-yl)-5-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)c3[nH]cc(C4CCS(=O)(=O)CC4)c3c2)s1
InChIInChI=1S/C19H20N2O3S2/c1-11-2-3-17(25-11)13-8-14-16(12-4-6-26(23,24)7-5-12)10-21-18(14)15(9-13)19(20)22/h2-3,8-10,12,21H,4-7H2,1H3,(H2,20,22)
InChIKeyMCSDUGDYJBXKNK-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.60
Rot. Bonds3

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

3-(1,1-dioxothian-4-yl)-5-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide (PubChem CID 66747184) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-(1,1-dioxothian-4-yl)-5-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-(1,1-dioxothian-4-yl)-5-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide
PubChem CID66747184
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name3-(1,1-dioxothian-4-yl)-5-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)c3[nH]cc(C4CCS(=O)(=O)CC4)c3c2)s1
InChIInChI=1S/C19H20N2O3S2/c1-11-2-3-17(25-11)13-8-14-16(12-4-6-26(23,24)7-5-12)10-21-18(14)15(9-13)19(20)22/h2-3,8-10,12,21H,4-7H2,1H3,(H2,20,22)
InChIKeyMCSDUGDYJBXKNK-UHFFFAOYSA-N
XLogP3.60
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chlorothiophen-2-yl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide
CID 66746096
3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide
CID 66746965
3-(1,1-dioxothian-4-yl)-5-(3,4,5-trifluorophenyl)-1H-indole-7-carboxamide
CID 66746457
3-(1,1-dioxothian-4-yl)-5-(1H-indazol-5-yl)-1H-indole-7-carboxamide
CID 59332704
5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide
CID 66747080
3-(1,1-dioxothian-4-yl)-5-[5-(hydroxymethyl)thiophen-3-yl]-1H-indole-7-carboxamide
CID 66746839
3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide
CID 66746755
3-(1,1-dioxothian-4-yl)-5-[5-(methoxymethyl)furan-2-yl]-1H-indole-7-carboxamide
CID 66747369
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-(ethoxymethyl)furan-2-yl]-1H-indole-7-carboxamide
CID 66747106
5-(3,4-dichlorophenyl)-3-(1,1-dihydroxythian-4-yl)-1H-indole-7-carboxamide
CID 66746128
3-(1,1-dihydroxy-2,2-dimethylthian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide
CID 66746140

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-4-yl)-5-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide?
The IUPAC name of 3-(1,1-dioxothian-4-yl)-5-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide (CID 66747184) is 3-(1,1-dioxothian-4-yl)-5-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for 3-(1,1-dioxothian-4-yl)-5-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide?
The canonical SMILES for 3-(1,1-dioxothian-4-yl)-5-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide is Cc1ccc(-c2cc(C(N)=O)c3[nH]cc(C4CCS(=O)(=O)CC4)c3c2)s1.
What is the InChIKey of 3-(1,1-dioxothian-4-yl)-5-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide?
The InChIKey is MCSDUGDYJBXKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-11-2-3-17(25-11)13-8-14-16(12-4-6-26(23,24)7-5-12)10-21-18(14)15(9-13)19(20)22/h2-3,8-10,12,21H,4-7H2,1H3,(H2,20,22).
What are the key properties of 3-(1,1-dioxothian-4-yl)-5-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide?
3-(1,1-dioxothian-4-yl)-5-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 3.60, 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-(5-methylthiophen-2-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 66747184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).