2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide

C21H19N3O4S2 — CID 12006182

IUPAC2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H19N3O4S2/c1-22-20(26)17-11-13-29-21(17)23-19(25)15-6-8-16(9-7-15)30(27,28)24-12-10-14-4-2-3-5-18(14)24/h2-9,11,13H,10,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyHSCAYBVNRJDPTH-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.11
Rot. Bonds5

About 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide

2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide (PubChem CID 12006182) has the molecular formula C21H19N3O4S2 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide
PubChem CID12006182
Molecular FormulaC21H19N3O4S2
Molecular Weight441.53 g/mol
Exact Mass441.08
IUPAC Name2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H19N3O4S2/c1-22-20(26)17-11-13-29-21(17)23-19(25)15-6-8-16(9-7-15)30(27,28)24-12-10-14-4-2-3-5-18(14)24/h2-9,11,13H,10,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyHSCAYBVNRJDPTH-UHFFFAOYSA-N
XLogP3.11
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
CID 7167237
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
CID 1010301
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 109061663
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide
CID 4930404
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-nitrobenzamide
CID 1362502
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide
CID 4937060
2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide
CID 41187405
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 23800625
3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide
CID 39132073
methyl 3-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 3679748

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide?
The IUPAC name of 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide (CID 12006182) is 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide is CNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide?
The InChIKey is HSCAYBVNRJDPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S2/c1-22-20(26)17-11-13-29-21(17)23-19(25)15-6-8-16(9-7-15)30(27,28)24-12-10-14-4-2-3-5-18(14)24/h2-9,11,13H,10,12H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide?
2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 12006182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).