1-(4-cyclopentylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide

C24H30N2O3S — CID 118870530

IUPAC1-(4-cyclopentylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
SMILESCCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(C4CCCC4)cc3)ccc21
InChIInChI=1S/C24H30N2O3S/c1-2-15-26-23-13-12-22(16-21(23)11-14-24(26)27)25-30(28,29)17-18-7-9-20(10-8-18)19-5-3-4-6-19/h7-10,12-13,16,19,25H,2-6,11,14-15,17H2,1H3
InChIKeyIFGJCPHUUGZSIZ-UHFFFAOYSA-N
MW426.58 g/mol
LogP4.98
Rot. Bonds7

About 1-(4-cyclopentylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide

1-(4-cyclopentylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide (PubChem CID 118870530) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is 1-(4-cyclopentylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyclopentylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
PubChem CID118870530
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC Name1-(4-cyclopentylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
SMILESCCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(C4CCCC4)cc3)ccc21
InChIInChI=1S/C24H30N2O3S/c1-2-15-26-23-13-12-22(16-21(23)11-14-24(26)27)25-30(28,29)17-18-7-9-20(10-8-18)19-5-3-4-6-19/h7-10,12-13,16,19,25H,2-6,11,14-15,17H2,1H3
InChIKeyIFGJCPHUUGZSIZ-UHFFFAOYSA-N
XLogP4.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Quinabactin
CID 16927350
N-(3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)ethanesulfonamide
CID 7527006
4-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
CID 16823207
2-ethylsulfonyl-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 3964348
2,5-dimethyl-N-(2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide
CID 7161338
4-methyl-N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide
CID 7526335
2,5-dimethyl-N-(3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)benzenesulfonamide
CID 7527016
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[4-(methanesulfonamido)-2,6-dimethylphenyl]acetamide
CID 16103051
4-methyl-N-{3-methyl-2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}benzene-1-sulfonamide
CID 16823209
4-methyl-N-(2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)benzenesulfonamide
CID 7526666
N-(4-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)ethanesulfonamide
CID 7526331
N-(3-oxo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methanesulfonamide
CID 7527001

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide?
The IUPAC name of 1-(4-cyclopentylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide (CID 118870530) is 1-(4-cyclopentylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyclopentylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide?
The canonical SMILES for 1-(4-cyclopentylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide is CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(C4CCCC4)cc3)ccc21.
What is the InChIKey of 1-(4-cyclopentylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide?
The InChIKey is IFGJCPHUUGZSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-2-15-26-23-13-12-22(16-21(23)11-14-24(26)27)25-30(28,29)17-18-7-9-20(10-8-18)19-5-3-4-6-19/h7-10,12-13,16,19,25H,2-6,11,14-15,17H2,1H3.
What are the key properties of 1-(4-cyclopentylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide?
1-(4-cyclopentylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide has a molecular weight of 426.58 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide is sourced from PubChem (CID 118870530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).