2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide

C23H27FN4O3S — CID 20858834

IUPAC2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1F
InChIInChI=1S/C23H27FN4O3S/c1-14(2)18-7-10-20(11-8-18)28(32(30,31)23-16(4)26-27-17(23)5)13-22(29)25-19-9-6-15(3)21(24)12-19/h6-12,14H,13H2,1-5H3,(H,25,29)(H,26,27)
InChIKeyYLSUSQATHIXICW-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.43
Rot. Bonds7

About 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide

2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 20858834) has the molecular formula C23H27FN4O3S and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID20858834
Molecular FormulaC23H27FN4O3S
Molecular Weight458.56 g/mol
Exact Mass458.18
IUPAC Name2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1F
InChIInChI=1S/C23H27FN4O3S/c1-14(2)18-7-10-20(11-8-18)28(32(30,31)23-16(4)26-27-17(23)5)13-22(29)25-19-9-6-15(3)21(24)12-19/h6-12,14H,13H2,1-5H3,(H,25,29)(H,26,27)
InChIKeyYLSUSQATHIXICW-UHFFFAOYSA-N
XLogP4.43
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide
CID 20855714
N-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
CID 20858805
N-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20868383
2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 20858729
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 110335689
N-(3,4-dimethoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20868381
N-(4-bromo-3-chlorophenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 126334264
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide
CID 30168762
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-ethylphenyl)acetamide
CID 20858939
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethyl-N-(4-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide
CID 5307196

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide (CID 20858834) is 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1F.
What is the InChIKey of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is YLSUSQATHIXICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3S/c1-14(2)18-7-10-20(11-8-18)28(32(30,31)23-16(4)26-27-17(23)5)13-22(29)25-19-9-6-15(3)21(24)12-19/h6-12,14H,13H2,1-5H3,(H,25,29)(H,26,27).
What are the key properties of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 458.56 g/mol, XLogP of 4.43, 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-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 20858834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).