N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

C23H26N2O3S — CID 23821273

IUPACN-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc2cc(CN(C3CCCC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1C
InChIInChI=1S/C23H26N2O3S/c1-16-12-13-18-14-19(23(26)24-22(18)17(16)2)15-25(20-8-6-7-9-20)29(27,28)21-10-4-3-5-11-21/h3-5,10-14,20H,6-9,15H2,1-2H3,(H,24,26)
InChIKeyJAEWRFQGWGYVBE-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.28
Rot. Bonds5

About N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (PubChem CID 23821273) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
PubChem CID23821273
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc2cc(CN(C3CCCC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1C
InChIInChI=1S/C23H26N2O3S/c1-16-12-13-18-14-19(23(26)24-22(18)17(16)2)15-25(20-8-6-7-9-20)29(27,28)21-10-4-3-5-11-21/h3-5,10-14,20H,6-9,15H2,1-2H3,(H,24,26)
InChIKeyJAEWRFQGWGYVBE-UHFFFAOYSA-N
XLogP4.28
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1168686
N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 1168758
N-cyclopentyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1165451
N-cyclohexyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 855783
N-cyclopentyl-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1373629
N-cyclohexyl-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 1162192
4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 3366760
1-cyclopentyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylthiourea
CID 862452
1-cyclopentyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)thiourea
CID 3171164
N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 3193953
4-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3186058
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1162029

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (CID 23821273) is N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is Cc1ccc2cc(CN(C3CCCC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1C.
What is the InChIKey of N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The InChIKey is JAEWRFQGWGYVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-16-12-13-18-14-19(23(26)24-22(18)17(16)2)15-25(20-8-6-7-9-20)29(27,28)21-10-4-3-5-11-21/h3-5,10-14,20H,6-9,15H2,1-2H3,(H,24,26).
What are the key properties of N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide has a molecular weight of 410.54 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 23821273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).