4-[cyclohexyl(methyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide

C25H30N4O4S — CID 60617104

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
SMILESCc1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H30N4O4S/c1-18-23(25(31)29(27(18)2)21-12-8-5-9-13-21)26-24(30)19-14-16-22(17-15-19)34(32,33)28(3)20-10-6-4-7-11-20/h5,8-9,12-17,20H,4,6-7,10-11H2,1-3H3,(H,26,30)
InChIKeyRDXLDZOPOQSXDQ-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.69
Rot. Bonds6

About 4-[cyclohexyl(methyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide

4-[cyclohexyl(methyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide (PubChem CID 60617104) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
PubChem CID60617104
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
SMILESCc1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C25H30N4O4S/c1-18-23(25(31)29(27(18)2)21-12-8-5-9-13-21)26-24(30)19-14-16-22(17-15-19)34(32,33)28(3)20-10-6-4-7-11-20/h5,8-9,12-17,20H,4,6-7,10-11H2,1-3H3,(H,26,30)
InChIKeyRDXLDZOPOQSXDQ-UHFFFAOYSA-N
XLogP3.69
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 1107853
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CID 30683562
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-phenylbenzamide
CID 24643280
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-formylpiperazin-1-yl)sulfonylbenzamide
CID 19258218
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(dimethylsulfamoyl)benzamide
CID 26499964
methyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]benzoate
CID 26908983
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33313715
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 2992617
N-(2-chlorophenyl)-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide
CID 26574997
cis-(1R,2S)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 1008555

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide (CID 60617104) is 4-[cyclohexyl(methyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide is Cc1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
The InChIKey is RDXLDZOPOQSXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-18-23(25(31)29(27(18)2)21-12-8-5-9-13-21)26-24(30)19-14-16-22(17-15-19)34(32,33)28(3)20-10-6-4-7-11-20/h5,8-9,12-17,20H,4,6-7,10-11H2,1-3H3,(H,26,30).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide has a molecular weight of 482.61 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide is sourced from PubChem (CID 60617104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).