N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C20H22N4O3S — CID 31843876

IUPACN-methyl-4-[methyl(phenyl)sulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C20H22N4O3S/c1-22(14-16-13-21-23(2)15-16)20(25)17-9-11-19(12-10-17)28(26,27)24(3)18-7-5-4-6-8-18/h4-13,15H,14H2,1-3H3
InChIKeyMGPJZOCHQMEVTF-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.52
Rot. Bonds6

About N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide

N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 31843876) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[methyl(phenyl)sulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID31843876
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-methyl-4-[methyl(phenyl)sulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C20H22N4O3S/c1-22(14-16-13-21-23(2)15-16)20(25)17-9-11-19(12-10-17)28(26,27)24(3)18-7-5-4-6-8-18/h4-13,15H,14H2,1-3H3
InChIKeyMGPJZOCHQMEVTF-UHFFFAOYSA-N
XLogP2.52
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide
CID 3472525
4-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31844154
N-benzyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9098551
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 31843072
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430
4-[methyl(phenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 78784352
4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905633
methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate
CID 37417742
3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843005
3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61139345
N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 24632491

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 31843876) is N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide is CN(Cc1cnn(C)c1)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is MGPJZOCHQMEVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-22(14-16-13-21-23(2)15-16)20(25)17-9-11-19(12-10-17)28(26,27)24(3)18-7-5-4-6-8-18/h4-13,15H,14H2,1-3H3.
What are the key properties of N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 398.49 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 31843876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).