3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide

C19H22N2O3S — CID 110343084

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCS(=O)(=O)N2CCc3ccccc32)cc1C
InChIInChI=1S/C19H22N2O3S/c1-14-7-8-17(13-15(14)2)20-19(22)10-12-25(23,24)21-11-9-16-5-3-4-6-18(16)21/h3-8,13H,9-12H2,1-2H3,(H,20,22)
InChIKeyUSALUYBSFJEKRA-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.02
Rot. Bonds5

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide (PubChem CID 110343084) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide
PubChem CID110343084
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCS(=O)(=O)N2CCc3ccccc32)cc1C
InChIInChI=1S/C19H22N2O3S/c1-14-7-8-17(13-15(14)2)20-19(22)10-12-25(23,24)21-11-9-16-5-3-4-6-18(16)21/h3-8,13H,9-12H2,1-2H3,(H,20,22)
InChIKeyUSALUYBSFJEKRA-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylphenyl)propanamide
CID 110343083
N-(4-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide
CID 110343101
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)propanamide
CID 110342862
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide
CID 110342855
N-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide
CID 110343140
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide
CID 110343036
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide
CID 110343046
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-methylphenyl)propanamide
CID 110342760
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 47032475
N-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034837

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide (CID 110343084) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)CCS(=O)(=O)N2CCc3ccccc32)cc1C.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide?
The InChIKey is USALUYBSFJEKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-7-8-17(13-15(14)2)20-19(22)10-12-25(23,24)21-11-9-16-5-3-4-6-18(16)21/h3-8,13H,9-12H2,1-2H3,(H,20,22).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide has a molecular weight of 358.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 110343084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).