3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)propanamide

C21H23ClN2O4S — CID 20855786

IUPAC3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)propanamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(C)cc3Cl)ccc21
InChIInChI=1S/C21H23ClN2O4S/c1-14-5-7-19(18(22)12-14)23-21(26)9-11-29(27,28)17-6-8-20-16(13-17)4-3-10-24(20)15(2)25/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,23,26)
InChIKeyYEBBPLMIUKHZRO-UHFFFAOYSA-N
MW434.95 g/mol
LogP3.75
Rot. Bonds5

About 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)propanamide

3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)propanamide (PubChem CID 20855786) has the molecular formula C21H23ClN2O4S and a molecular weight of 434.95 g/mol. Its IUPAC name is 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)propanamide
PubChem CID20855786
Molecular FormulaC21H23ClN2O4S
Molecular Weight434.95 g/mol
Exact Mass434.11
IUPAC Name3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)propanamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(C)cc3Cl)ccc21
InChIInChI=1S/C21H23ClN2O4S/c1-14-5-7-19(18(22)12-14)23-21(26)9-11-29(27,28)17-6-8-20-16(13-17)4-3-10-24(20)15(2)25/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,23,26)
InChIKeyYEBBPLMIUKHZRO-UHFFFAOYSA-N
XLogP3.75
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)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

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-methylphenyl)propanamide
CID 15997795
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide
CID 20855778
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)propanamide
CID 20853373
1-acetyl-N-(2,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 7401545
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)propanamide
CID 110299974
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide
CID 15993621
1-acetyl-N-(3,5-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453923
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]propanoic acid
CID 3239436
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
1-acetyl-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 114616615
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)propanamide?
The IUPAC name of 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)propanamide (CID 20855786) is 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)propanamide?
The canonical SMILES for 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)propanamide is CC(=O)N1CCCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(C)cc3Cl)ccc21.
What is the InChIKey of 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)propanamide?
The InChIKey is YEBBPLMIUKHZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4S/c1-14-5-7-19(18(22)12-14)23-21(26)9-11-29(27,28)17-6-8-20-16(13-17)4-3-10-24(20)15(2)25/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,23,26).
What are the key properties of 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)propanamide?
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)propanamide has a molecular weight of 434.95 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 20855786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).