N-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide

C20H22N4O4S — CID 53115387

IUPACN-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H22N4O4S/c1-12-5-10-17(13(2)11-12)21-19(25)18-14(3)22-23-20(18)29(26,27)24-15-6-8-16(28-4)9-7-15/h5-11,24H,1-4H3,(H,21,25)(H,22,23)
InChIKeyCHSYBNXNXRXXRT-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.40
Rot. Bonds6

About N-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide

N-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 53115387) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID53115387
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H22N4O4S/c1-12-5-10-17(13(2)11-12)21-19(25)18-14(3)22-23-20(18)29(26,27)24-15-6-8-16(28-4)9-7-15/h5-11,24H,1-4H3,(H,21,25)(H,22,23)
InChIKeyCHSYBNXNXRXXRT-UHFFFAOYSA-N
XLogP3.40
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 53115373
N-(4-carbamoylphenyl)-3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 53115400
N-(2,4-dimethylphenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109356803
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126415722
2-N-(2,4-dimethylphenyl)-4-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109091767
N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109290725
N-(2,4-dimethylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 625191
N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865070
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647611
1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea
CID 25039010
N-(2,5-dimethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4259927

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 53115387) is N-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide is COc1ccc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is CHSYBNXNXRXXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-12-5-10-17(13(2)11-12)21-19(25)18-14(3)22-23-20(18)29(26,27)24-15-6-8-16(28-4)9-7-15/h5-11,24H,1-4H3,(H,21,25)(H,22,23).
What are the key properties of N-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53115387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).