N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide

C19H20N4O3S — CID 43069498

IUPACN-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H20N4O3S/c1-13-4-10-18(11-5-13)27(25,26)22-16-6-8-17(9-7-16)23-19(20-15(3)24)12-14(2)21-23/h4-12,22H,1-3H3,(H,20,24)
InChIKeyMKKWTICEXJVKTQ-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.25
Rot. Bonds5

About N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide

N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide (PubChem CID 43069498) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide
PubChem CID43069498
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H20N4O3S/c1-13-4-10-18(11-5-13)27(25,26)22-16-6-8-17(9-7-16)23-19(20-15(3)24)12-14(2)21-23/h4-12,22H,1-3H3,(H,20,24)
InChIKeyMKKWTICEXJVKTQ-UHFFFAOYSA-N
XLogP3.25
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide
CID 43069485
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 36591359
N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370933
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 37093234
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
CID 138994557
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 22205094
4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 34421347
ethyl 4-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]sulfamoyl]benzoate
CID 138994554
N-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-2-oxoacetamide
CID 166222047
2-(4-acetamidophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55377318

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide (CID 43069498) is N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide is CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide?
The InChIKey is MKKWTICEXJVKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13-4-10-18(11-5-13)27(25,26)22-16-6-8-17(9-7-16)23-19(20-15(3)24)12-14(2)21-23/h4-12,22H,1-3H3,(H,20,24).
What are the key properties of N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide?
N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide has a molecular weight of 384.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 43069498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).