N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide

C20H27N3O4S — CID 39211941

IUPACN-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC3CCCC3)c2c1
InChIInChI=1S/C20H27N3O4S/c1-3-23(4-2)28(26,27)15-9-10-18-16(11-15)17(12-19(24)22-18)20(25)21-13-14-7-5-6-8-14/h9-12,14H,3-8,13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyAXNJOFAZVHBPHX-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.48
Rot. Bonds7

About N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide

N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 39211941) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID39211941
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC3CCCC3)c2c1
InChIInChI=1S/C20H27N3O4S/c1-3-23(4-2)28(26,27)15-9-10-18-16(11-15)17(12-19(24)22-18)20(25)21-13-14-7-5-6-8-14/h9-12,14H,3-8,13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyAXNJOFAZVHBPHX-UHFFFAOYSA-N
XLogP2.48
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7872467
6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 120829777
N-(2-aminoethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119384301
N-[2-(cyclohexen-1-yl)ethyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27666353
N-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide
CID 22427077
6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 41365118
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55786394
6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 32638443
6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 41275498
N-(cyclopropylmethyl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 34825943
N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 26095086
4-(3-cyclopropyl-2-azaspiro[3.3]heptane-2-carbonyl)-N,N-diethyl-2-oxo-1H-quinoline-6-sulfonamide
CID 139004419

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide (CID 39211941) is N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC3CCCC3)c2c1.
What is the InChIKey of N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is AXNJOFAZVHBPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-3-23(4-2)28(26,27)15-9-10-18-16(11-15)17(12-19(24)22-18)20(25)21-13-14-7-5-6-8-14/h9-12,14H,3-8,13H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide?
N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 39211941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).