N-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide

C25H30N4O3S — CID 43052469

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)n(Cc2ccccc2)n1
InChIInChI=1S/C25H30N4O3S/c1-19-17-24(29(27-19)18-20-9-5-3-6-10-20)26-25(30)21-13-15-23(16-14-21)33(31,32)28(2)22-11-7-4-8-12-22/h3,5-6,9-10,13-17,22H,4,7-8,11-12,18H2,1-2H3,(H,26,30)
InChIKeyUUWMYRKZDOICNA-UHFFFAOYSA-N
MW466.61 g/mol
LogP4.45
Rot. Bonds7

About N-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide

N-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide (PubChem CID 43052469) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
PubChem CID43052469
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)n(Cc2ccccc2)n1
InChIInChI=1S/C25H30N4O3S/c1-19-17-24(29(27-19)18-20-9-5-3-6-10-20)26-25(30)21-13-15-23(16-14-21)33(31,32)28(2)22-11-7-4-8-12-22/h3,5-6,9-10,13-17,22H,4,7-8,11-12,18H2,1-2H3,(H,26,30)
InChIKeyUUWMYRKZDOICNA-UHFFFAOYSA-N
XLogP4.45
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]benzamide
CID 55572849
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
N-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 55551193
N-(1-benzyl-1,2,4-triazol-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55857423
N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 43052464
3-[cyclohexyl(methyl)sulfamoyl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 55377924
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide
CID 60571336
4-[cyclohexyl(methyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 60617104
4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 25284324
4-[cyclopentyl(methyl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 7656072
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55550889
ethyl 6-benzyl-2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4607066

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide (CID 43052469) is N-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide is Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide?
The InChIKey is UUWMYRKZDOICNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-19-17-24(29(27-19)18-20-9-5-3-6-10-20)26-25(30)21-13-15-23(16-14-21)33(31,32)28(2)22-11-7-4-8-12-22/h3,5-6,9-10,13-17,22H,4,7-8,11-12,18H2,1-2H3,(H,26,30).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide has a molecular weight of 466.61 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 43052469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).