2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide

C22H26N4O3S — CID 20855714

IUPAC2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C22H26N4O3S/c1-5-18-7-6-8-19(13-18)23-21(27)14-26(20-11-9-15(2)10-12-20)30(28,29)22-16(3)24-25-17(22)4/h6-13H,5,14H2,1-4H3,(H,23,27)(H,24,25)
InChIKeyIXQITJYIPUBLCA-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.73
Rot. Bonds7

About 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide

2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide (PubChem CID 20855714) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide
PubChem CID20855714
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C22H26N4O3S/c1-5-18-7-6-8-19(13-18)23-21(27)14-26(20-11-9-15(2)10-12-20)30(28,29)22-16(3)24-25-17(22)4/h6-13H,5,14H2,1-4H3,(H,23,27)(H,24,25)
InChIKeyIXQITJYIPUBLCA-UHFFFAOYSA-N
XLogP3.73
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
CID 20858805
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-ethylphenyl)acetamide
CID 20858939
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 20858834
N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
CID 20858817
N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
CID 20858792
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-methylphenyl)acetamide
CID 1311149
methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 110335720
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1320131
N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154183
N-(3-acetamidophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30231205
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30171593
N-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide
CID 75366177

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide (CID 20855714) is 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)c1.
What is the InChIKey of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide?
The InChIKey is IXQITJYIPUBLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-5-18-7-6-8-19(13-18)23-21(27)14-26(20-11-9-15(2)10-12-20)30(28,29)22-16(3)24-25-17(22)4/h6-13H,5,14H2,1-4H3,(H,23,27)(H,24,25).
What are the key properties of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide?
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide has a molecular weight of 426.54 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 20855714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).