N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide

C23H27N3O4S — CID 43995385

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N2CCCc3ccccc32)C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H27N3O4S/c1-18-10-12-20(13-11-18)31(29,30)26(23(28)24-14-4-5-15-24)17-22(27)25-16-6-8-19-7-2-3-9-21(19)25/h2-3,7,9-13H,4-6,8,14-17H2,1H3
InChIKeyCZXJVBFMPXSBEA-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.18
Rot. Bonds4

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide (PubChem CID 43995385) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
PubChem CID43995385
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N2CCCc3ccccc32)C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H27N3O4S/c1-18-10-12-20(13-11-18)31(29,30)26(23(28)24-14-4-5-15-24)17-22(27)25-16-6-8-19-7-2-3-9-21(19)25/h2-3,7,9-13H,4-6,8,14-17H2,1H3
InChIKeyCZXJVBFMPXSBEA-UHFFFAOYSA-N
XLogP3.18
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 2412874
N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 43995378
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 2357612
N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 43995446
N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2441689
N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 8004672
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)sulfonylurea
CID 110370826
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]ethanone
CID 68964307
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 113149853
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)acetamide
CID 113167942
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
N-butan-2-yl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acetamide
CID 113159104

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide (CID 43995385) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide is Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCc3ccccc32)C(=O)N2CCCC2)cc1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide?
The InChIKey is CZXJVBFMPXSBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-18-10-12-20(13-11-18)31(29,30)26(23(28)24-14-4-5-15-24)17-22(27)25-16-6-8-19-7-2-3-9-21(19)25/h2-3,7,9-13H,4-6,8,14-17H2,1H3.
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide is sourced from PubChem (CID 43995385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).