N-cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3H-quinoline-3-carboxamide

C23H25N3O5S — CID 73216437

IUPACN-cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3H-quinoline-3-carboxamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)C(C(=O)NC2CCCCC2)C=N3)c1
InChIInChI=1S/C23H25N3O5S/c1-31-17-9-5-8-16(12-17)26-32(29,30)18-10-11-21-19(13-18)22(27)20(14-24-21)23(28)25-15-6-3-2-4-7-15/h5,8-15,20,26H,2-4,6-7H2,1H3,(H,25,28)
InChIKeyYPKSVZLYSOHWHR-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.46
Rot. Bonds6

About N-cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3H-quinoline-3-carboxamide

N-cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3H-quinoline-3-carboxamide (PubChem CID 73216437) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3H-quinoline-3-carboxamide
PubChem CID73216437
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN-cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3H-quinoline-3-carboxamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)C(C(=O)NC2CCCCC2)C=N3)c1
InChIInChI=1S/C23H25N3O5S/c1-31-17-9-5-8-16(12-17)26-32(29,30)18-10-11-21-19(13-18)22(27)20(14-24-21)23(28)25-15-6-3-2-4-7-15/h5,8-15,20,26H,2-4,6-7H2,1H3,(H,25,28)
InChIKeyYPKSVZLYSOHWHR-UHFFFAOYSA-N
XLogP3.46
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3-[(3-methoxyphenyl)sulfamoyl]benzamide
CID 109063440
N-cyclopropyl-3-[(3-methoxyphenyl)sulfamoyl]benzamide
CID 109062340
N-cyclopentyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 15994896
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127
N-cyclopentyl-N'-(3-methoxyphenyl)oxamide
CID 7541556
N-cyclopentyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 9164188
N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109249645
2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
CID 55043864
N-cyclohexyl-5-[(3-methoxyphenyl)sulfonylamino]-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108396
3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide
CID 10437549
N-cyclobutyl-2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117672

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3H-quinoline-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3H-quinoline-3-carboxamide (CID 73216437) is N-cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3H-quinoline-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3H-quinoline-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3H-quinoline-3-carboxamide is COc1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)C(C(=O)NC2CCCCC2)C=N3)c1.
What is the InChIKey of N-cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3H-quinoline-3-carboxamide?
The InChIKey is YPKSVZLYSOHWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-31-17-9-5-8-16(12-17)26-32(29,30)18-10-11-21-19(13-18)22(27)20(14-24-21)23(28)25-15-6-3-2-4-7-15/h5,8-15,20,26H,2-4,6-7H2,1H3,(H,25,28).
What are the key properties of N-cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3H-quinoline-3-carboxamide?
N-cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3H-quinoline-3-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-3H-quinoline-3-carboxamide is sourced from PubChem (CID 73216437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).