3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide

C19H22N2O3S — CID 110342855

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCS(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H22N2O3S/c1-15-7-2-4-10-17(15)20-19(22)12-14-25(23,24)21-13-6-9-16-8-3-5-11-18(16)21/h2-5,7-8,10-11H,6,9,12-14H2,1H3,(H,20,22)
InChIKeyWHWUFGZFIJOPGI-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.11
Rot. Bonds5

About 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide (PubChem CID 110342855) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide
PubChem CID110342855
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCS(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H22N2O3S/c1-15-7-2-4-10-17(15)20-19(22)12-14-25(23,24)21-13-6-9-16-8-3-5-11-18(16)21/h2-5,7-8,10-11H,6,9,12-14H2,1H3,(H,20,22)
InChIKeyWHWUFGZFIJOPGI-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)propanamide
CID 110342862
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylphenyl)propanamide
CID 110343083
N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide
CID 110342823
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide
CID 110343084
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one
CID 110342860
N-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide
CID 110343140
N-(4-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide
CID 110343101
2-(2,3-dihydroindol-1-yl)-N-(2-methylphenyl)acetamide
CID 22199881
N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide
CID 110342828
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide
CID 110343046
3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 25161687
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 23607928

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide (CID 110342855) is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)CCS(=O)(=O)N1CCCc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide?
The InChIKey is WHWUFGZFIJOPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15-7-2-4-10-17(15)20-19(22)12-14-25(23,24)21-13-6-9-16-8-3-5-11-18(16)21/h2-5,7-8,10-11H,6,9,12-14H2,1H3,(H,20,22).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide?
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide has a molecular weight of 358.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 110342855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).