2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide

C24H25FN2O3S — CID 43902503

IUPAC2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25FN2O3S/c1-17-8-12-20(13-9-17)19(3)26-24(28)16-27(23-7-5-4-6-22(23)25)31(29,30)21-14-10-18(2)11-15-21/h4-15,19H,16H2,1-3H3,(H,26,28)
InChIKeySEUFTKBLDMSHLS-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.52
Rot. Bonds7

About 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide

2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide (PubChem CID 43902503) has the molecular formula C24H25FN2O3S and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
PubChem CID43902503
Molecular FormulaC24H25FN2O3S
Molecular Weight440.54 g/mol
Exact Mass440.16
IUPAC Name2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25FN2O3S/c1-17-8-12-20(13-9-17)19(3)26-24(28)16-27(23-7-5-4-6-22(23)25)31(29,30)21-14-10-18(2)11-15-21/h4-15,19H,16H2,1-3H3,(H,26,28)
InChIKeySEUFTKBLDMSHLS-UHFFFAOYSA-N
XLogP4.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30215942
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30304751
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 30257028
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30306723
N-(2-fluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 50890158
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92672852
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 53279303
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 92684237
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43900377
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43902286
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2262069
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890127

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide (CID 43902503) is 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide is Cc1ccc(C(C)NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is SEUFTKBLDMSHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3S/c1-17-8-12-20(13-9-17)19(3)26-24(28)16-27(23-7-5-4-6-22(23)25)31(29,30)21-14-10-18(2)11-15-21/h4-15,19H,16H2,1-3H3,(H,26,28).
What are the key properties of 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide?
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 440.54 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 43902503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).