N-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C24H23ClN2O3S — CID 58859667

IUPACN-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C24H23ClN2O3S/c1-17-16-24(26(18(2)28)20-8-4-3-5-9-20)22-10-6-7-11-23(22)27(17)31(29,30)21-14-12-19(25)13-15-21/h3-15,17,24H,16H2,1-2H3
InChIKeyHLLADEMUIWZCMI-UHFFFAOYSA-N
MW454.98 g/mol
LogP5.42
Rot. Bonds4

About N-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 58859667) has the molecular formula C24H23ClN2O3S and a molecular weight of 454.98 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID58859667
Molecular FormulaC24H23ClN2O3S
Molecular Weight454.98 g/mol
Exact Mass454.11
IUPAC NameN-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C24H23ClN2O3S/c1-17-16-24(26(18(2)28)20-8-4-3-5-9-20)22-10-6-7-11-23(22)27(17)31(29,30)21-14-12-19(25)13-15-21/h3-15,17,24H,16H2,1-2H3
InChIKeyHLLADEMUIWZCMI-UHFFFAOYSA-N
XLogP5.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.98
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,4S)-1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 97182675
4-methyl-N-[(2S,4R)-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide
CID 1108481
N-[(2S,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-chloro-N-phenylbenzenesulfonamide
CID 41384908
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-chloro-N-phenylbenzenesulfonamide
CID 41384904
N-[(2S,4R)-1-acetyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7316015
N-[(2S,4R)-1-benzoyl-7-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69428809
N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 76613782
N-(4-chlorophenyl)-N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 58859796
N-[1-(3,4-difluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 58859677
N-[(2R,4S)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 40721140
N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 40721142
N-[(2S,4R)-1-(2-chloropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 87830961

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 58859667) is N-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)C1CC(C)N(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is HLLADEMUIWZCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3S/c1-17-16-24(26(18(2)28)20-8-4-3-5-9-20)22-10-6-7-11-23(22)27(17)31(29,30)21-14-12-19(25)13-15-21/h3-15,17,24H,16H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 454.98 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 58859667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).