N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide

C25H28N4O5S — CID 55786394

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)c2c1
InChIInChI=1S/C25H28N4O5S/c1-4-29(5-2)35(33,34)18-10-11-21-19(13-18)20(14-23(30)27-21)25(32)28-22-12-16(7-6-15(22)3)24(31)26-17-8-9-17/h6-7,10-14,17H,4-5,8-9H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)
InChIKeyAAQGZRVOSJPJAQ-UHFFFAOYSA-N
MW496.59 g/mol
LogP3.01
Rot. Bonds8

About N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 55786394) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID55786394
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)c2c1
InChIInChI=1S/C25H28N4O5S/c1-4-29(5-2)35(33,34)18-10-11-21-19(13-18)20(14-23(30)27-21)25(32)28-22-12-16(7-6-15(22)3)24(31)26-17-8-9-17/h6-7,10-14,17H,4-5,8-9H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)
InChIKeyAAQGZRVOSJPJAQ-UHFFFAOYSA-N
XLogP3.01
TPSA128.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7872467
N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 39211941
N-(2-aminoethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119384301
N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 26095086
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55333768
6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 32638443
6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 120829777
N-[2-(cyclohexen-1-yl)ethyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27666353
6-(diethylsulfamoyl)-N-[2-(2-nitroanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 41275498
6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 41365118
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate
CID 2673338
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide
CID 38394548

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide (CID 55786394) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)c2c1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is AAQGZRVOSJPJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c1-4-29(5-2)35(33,34)18-10-11-21-19(13-18)20(14-23(30)27-21)25(32)28-22-12-16(7-6-15(22)3)24(31)26-17-8-9-17/h6-7,10-14,17H,4-5,8-9H2,1-3H3,(H,26,31)(H,27,30)(H,28,32).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 55786394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).