N-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide

C20H27N3O4S — CID 20859070

IUPACN-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NC1CCCC1)cn2C
InChIInChI=1S/C20H27N3O4S/c1-4-23(5-2)28(26,27)15-10-11-18-16(12-15)19(24)17(13-22(18)3)20(25)21-14-8-6-7-9-14/h10-14H,4-9H2,1-3H3,(H,21,25)
InChIKeyIYWPHAFOYQFCGB-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.24
Rot. Bonds6

About N-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide

N-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 20859070) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID20859070
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NC1CCCC1)cn2C
InChIInChI=1S/C20H27N3O4S/c1-4-23(5-2)28(26,27)15-10-11-18-16(12-15)19(24)17(13-22(18)3)20(25)21-14-8-6-7-9-14/h10-14H,4-9H2,1-3H3,(H,21,25)
InChIKeyIYWPHAFOYQFCGB-UHFFFAOYSA-N
XLogP2.24
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859069
N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859084
6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide
CID 20859076
6-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 5307488
2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide
CID 9214228
N-cyclohexyl-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7872467
5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid
CID 663444
6-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dipropylamino)propyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859177
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 46255088
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132192
6-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859157

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide (CID 20859070) is N-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NC1CCCC1)cn2C.
What is the InChIKey of N-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is IYWPHAFOYQFCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-4-23(5-2)28(26,27)15-10-11-18-16(12-15)19(24)17(13-22(18)3)20(25)21-14-8-6-7-9-14/h10-14H,4-9H2,1-3H3,(H,21,25).
What are the key properties of N-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide?
N-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 20859070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).