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

C19H22N2O3S — CID 110342823

IUPACN-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide
SMILESO=C(CCS(=O)(=O)N1CCCc2ccccc21)NCc1ccccc1
InChIInChI=1S/C19H22N2O3S/c22-19(20-15-16-7-2-1-3-8-16)12-14-25(23,24)21-13-6-10-17-9-4-5-11-18(17)21/h1-5,7-9,11H,6,10,12-15H2,(H,20,22)
InChIKeyVKJICNYRLCJWDI-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.48
Rot. Bonds6

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

N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide (PubChem CID 110342823) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide
PubChem CID110342823
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide
SMILESO=C(CCS(=O)(=O)N1CCCc2ccccc21)NCc1ccccc1
InChIInChI=1S/C19H22N2O3S/c22-19(20-15-16-7-2-1-3-8-16)12-14-25(23,24)21-13-6-10-17-9-4-5-11-18(17)21/h1-5,7-9,11H,6,10,12-15H2,(H,20,22)
InChIKeyVKJICNYRLCJWDI-UHFFFAOYSA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 110343053
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide
CID 110342855
N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide
CID 110342828
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one
CID 110342860
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)propanamide
CID 110342862
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide
CID 110343036
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide
CID 110343046
N-(4-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide
CID 110343101
3-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 109021063
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
CID 55662696
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide
CID 110343084
N-(2,5-dichlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide
CID 110343140

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide?
The IUPAC name of N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide (CID 110342823) is N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide.
What is the SMILES notation for N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide?
The canonical SMILES for N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide is O=C(CCS(=O)(=O)N1CCCc2ccccc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide?
The InChIKey is VKJICNYRLCJWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-19(20-15-16-7-2-1-3-8-16)12-14-25(23,24)21-13-6-10-17-9-4-5-11-18(17)21/h1-5,7-9,11H,6,10,12-15H2,(H,20,22).
What are the key properties of N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide?
N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide has a molecular weight of 358.46 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide is sourced from PubChem (CID 110342823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).