1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydroindole-5-carboxamide

C21H19N3O4S2 — CID 29335269

IUPAC1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)ccc21
InChIInChI=1S/C21H19N3O4S2/c1-30(27,28)24-10-9-14-12-15(7-8-18(14)24)20(25)22-16-4-2-5-17(13-16)23-21(26)19-6-3-11-29-19/h2-8,11-13H,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyQZBIBJSWHYFTIC-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.57
Rot. Bonds5

About 1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydroindole-5-carboxamide

1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 29335269) has the molecular formula C21H19N3O4S2 and a molecular weight of 441.53 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydroindole-5-carboxamide
PubChem CID29335269
Molecular FormulaC21H19N3O4S2
Molecular Weight441.53 g/mol
Exact Mass441.08
IUPAC Name1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)ccc21
InChIInChI=1S/C21H19N3O4S2/c1-30(27,28)24-10-9-14-12-15(7-8-18(14)24)20(25)22-16-4-2-5-17(13-16)23-21(26)19-6-3-11-29-19/h2-8,11-13H,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyQZBIBJSWHYFTIC-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide
CID 7657945
N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 2987467
N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 27160936
N-(4-tert-butylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18776410
1-methylsulfonyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 24761444
3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506190
N-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 38559127
N-(3-chloro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085733
N-[4-(diethylcarbamoyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8819662
N-[3-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1334806
N-(4-methyl-3-nitrophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51200214

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydroindole-5-carboxamide (CID 29335269) is 1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydroindole-5-carboxamide is CS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)ccc21.
What is the InChIKey of 1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is QZBIBJSWHYFTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S2/c1-30(27,28)24-10-9-14-12-15(7-8-18(14)24)20(25)22-16-4-2-5-17(13-16)23-21(26)19-6-3-11-29-19/h2-8,11-13H,9-10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydroindole-5-carboxamide?
1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 29335269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).