2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide

C24H25FN2O3S — CID 46770565

IUPAC2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H25FN2O3S/c1-3-23(19-7-5-4-6-8-19)26-24(28)17-27(21-13-9-18(2)10-14-21)31(29,30)22-15-11-20(25)12-16-22/h4-16,23H,3,17H2,1-2H3,(H,26,28)
InChIKeyLXXSOVJECNRPHX-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.60
Rot. Bonds8

About 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide

2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide (PubChem CID 46770565) has the molecular formula C24H25FN2O3S and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide
PubChem CID46770565
Molecular FormulaC24H25FN2O3S
Molecular Weight440.54 g/mol
Exact Mass440.16
IUPAC Name2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H25FN2O3S/c1-3-23(19-7-5-4-6-8-19)26-24(28)17-27(21-13-9-18(2)10-14-21)31(29,30)22-15-11-20(25)12-16-22/h4-16,23H,3,17H2,1-2H3,(H,26,28)
InChIKeyLXXSOVJECNRPHX-UHFFFAOYSA-N
XLogP4.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 92675322
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2262069
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 92672306
2-[N-(benzenesulfonyl)anilino]-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 28572138
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 28567224
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 28574516
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 43901748
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 30305941
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 28567843
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43885576
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30304440
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(1-phenylpropyl)acetamide
CID 132611241

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide (CID 46770565) is 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide is CCC(NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide?
The InChIKey is LXXSOVJECNRPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3S/c1-3-23(19-7-5-4-6-8-19)26-24(28)17-27(21-13-9-18(2)10-14-21)31(29,30)22-15-11-20(25)12-16-22/h4-16,23H,3,17H2,1-2H3,(H,26,28).
What are the key properties of 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide?
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide has a molecular weight of 440.54 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide is sourced from PubChem (CID 46770565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).