2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide

C28H33FN2O5S — CID 46773052

IUPAC2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NC(CC(C)C)c2ccc(OC)cc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H33FN2O5S/c1-5-36-25-14-10-23(11-15-25)31(37(33,34)26-16-8-22(29)9-17-26)19-28(32)30-27(18-20(2)3)21-6-12-24(35-4)13-7-21/h6-17,20,27H,5,18-19H2,1-4H3,(H,30,32)
InChIKeyJSPQFPSVHKPPMY-UHFFFAOYSA-N
MW528.65 g/mol
LogP5.33
Rot. Bonds12

About 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide

2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide (PubChem CID 46773052) has the molecular formula C28H33FN2O5S and a molecular weight of 528.65 g/mol. Its IUPAC name is 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
PubChem CID46773052
Molecular FormulaC28H33FN2O5S
Molecular Weight528.65 g/mol
Exact Mass528.21
IUPAC Name2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NC(CC(C)C)c2ccc(OC)cc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H33FN2O5S/c1-5-36-25-14-10-23(11-15-25)31(37(33,34)26-16-8-22(29)9-17-26)19-28(32)30-27(18-20(2)3)21-6-12-24(35-4)13-7-21/h6-17,20,27H,5,18-19H2,1-4H3,(H,30,32)
InChIKeyJSPQFPSVHKPPMY-UHFFFAOYSA-N
XLogP5.33
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.65
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94020310
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 30306805
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 43916179
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28573328
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 28574516
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43902437
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 92672306
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43901953
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43898778
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902515
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 94863870
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 30398115

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The IUPAC name of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide (CID 46773052) is 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The canonical SMILES for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide is CCOc1ccc(N(CC(=O)NC(CC(C)C)c2ccc(OC)cc2)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The InChIKey is JSPQFPSVHKPPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN2O5S/c1-5-36-25-14-10-23(11-15-25)31(37(33,34)26-16-8-22(29)9-17-26)19-28(32)30-27(18-20(2)3)21-6-12-24(35-4)13-7-21/h6-17,20,27H,5,18-19H2,1-4H3,(H,30,32).
What are the key properties of 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide has a molecular weight of 528.65 g/mol, XLogP of 5.33, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide is sourced from PubChem (CID 46773052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).