N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide

C20H22N4O3S — CID 99122318

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cnn(-c2ccccc2C)c1
InChIInChI=1S/C20H22N4O3S/c1-14-9-10-17(28(26,27)23(3)4)11-18(14)22-20(25)16-12-21-24(13-16)19-8-6-5-7-15(19)2/h5-13H,1-4H3,(H,22,25)
InChIKeyAVAVEHGMYZVUPN-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.99
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 99122318) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID99122318
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cnn(-c2ccccc2C)c1
InChIInChI=1S/C20H22N4O3S/c1-14-9-10-17(28(26,27)23(3)4)11-18(14)22-20(25)16-12-21-24(13-16)19-8-6-5-7-15(19)2/h5-13H,1-4H3,(H,22,25)
InChIKeyAVAVEHGMYZVUPN-UHFFFAOYSA-N
XLogP2.99
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
CID 26244337
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604738
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide
CID 26774002
2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid
CID 2813889
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide
CID 30723480
1-(2-methylphenyl)-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide
CID 56788183
1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 16561745
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2812461
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 3488603
2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 4243618

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 99122318) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cnn(-c2ccccc2C)c1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is AVAVEHGMYZVUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14-9-10-17(28(26,27)23(3)4)11-18(14)22-20(25)16-12-21-24(13-16)19-8-6-5-7-15(19)2/h5-13H,1-4H3,(H,22,25).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 99122318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).