N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide

C19H22N2O3S — CID 7586748

IUPACN-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CCC2
InChIInChI=1S/C19H22N2O3S/c1-3-19(22)20-16-9-8-15-5-4-12-21(18(15)13-16)25(23,24)17-10-6-14(2)7-11-17/h6-11,13H,3-5,12H2,1-2H3,(H,20,22)
InChIKeyXHLMZJFUXVZGOT-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.49
Rot. Bonds4

About N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide

N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide (PubChem CID 7586748) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide
PubChem CID7586748
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CCC2
InChIInChI=1S/C19H22N2O3S/c1-3-19(22)20-16-9-8-15-5-4-12-21(18(15)13-16)25(23,24)17-10-6-14(2)7-11-17/h6-11,13H,3-5,12H2,1-2H3,(H,20,22)
InChIKeyXHLMZJFUXVZGOT-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
CID 43990369
3-chloro-2,2-dimethyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 7517776
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 18578116
N'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 43990420
N'-(3-fluoro-4-methylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 18578114
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide
CID 18565156
3,4-diethoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 27655748
2,6-dimethoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 43990338
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110303450
methyl N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 16835393
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 18565098
2-(4-methoxyphenoxy)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 18565018

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide?
The IUPAC name of N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide (CID 7586748) is N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide.
What is the SMILES notation for N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide?
The canonical SMILES for N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide is CCC(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CCC2.
What is the InChIKey of N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide?
The InChIKey is XHLMZJFUXVZGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-19(22)20-16-9-8-15-5-4-12-21(18(15)13-16)25(23,24)17-10-6-14(2)7-11-17/h6-11,13H,3-5,12H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide?
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide has a molecular weight of 358.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide is sourced from PubChem (CID 7586748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).