4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

C20H22N4O3S — CID 47079264

IUPAC4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3cn[nH]c3C)cc2)cc1
InChIInChI=1S/C20H22N4O3S/c1-14-4-10-19(11-5-14)28(26,27)24(3)18-8-6-16(7-9-18)20(25)21-12-17-13-22-23-15(17)2/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyKCAUIWDCTIGMKY-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.78
Rot. Bonds6

About 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (PubChem CID 47079264) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
PubChem CID47079264
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3cn[nH]c3C)cc2)cc1
InChIInChI=1S/C20H22N4O3S/c1-14-4-10-19(11-5-14)28(26,27)24(3)18-8-6-16(7-9-18)20(25)21-12-17-13-22-23-15(17)2/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyKCAUIWDCTIGMKY-UHFFFAOYSA-N
XLogP2.78
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1305730
N-[(4-chlorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26912045
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55615012
N-[(5-ethylthiophen-2-yl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 46475822
N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 92680681
3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896754
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)benzamide
CID 18106775
N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119498678
N-[(4-fluorophenyl)methyl]-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 50795493
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55660302
3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736056

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (CID 47079264) is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3cn[nH]c3C)cc2)cc1.
What is the InChIKey of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The InChIKey is KCAUIWDCTIGMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14-4-10-19(11-5-14)28(26,27)24(3)18-8-6-16(7-9-18)20(25)21-12-17-13-22-23-15(17)2/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide has a molecular weight of 398.49 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 47079264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).