2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C24H23F3N2O4S — CID 100604334

IUPAC2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23F3N2O4S/c1-2-33-21-13-11-20(12-14-21)29(34(31,32)22-9-4-3-5-10-22)17-23(30)28-16-18-7-6-8-19(15-18)24(25,26)27/h3-15H,2,16-17H2,1H3,(H,28,30)
InChIKeyIQJNDRTZLCYAGB-UHFFFAOYSA-N
MW492.52 g/mol
LogP4.62
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 100604334) has the molecular formula C24H23F3N2O4S and a molecular weight of 492.52 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID100604334
Molecular FormulaC24H23F3N2O4S
Molecular Weight492.52 g/mol
Exact Mass492.13
IUPAC Name2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23F3N2O4S/c1-2-33-21-13-11-20(12-14-21)29(34(31,32)22-9-4-3-5-10-22)17-23(30)28-16-18-7-6-8-19(15-18)24(25,26)27/h3-15H,2,16-17H2,1H3,(H,28,30)
InChIKeyIQJNDRTZLCYAGB-UHFFFAOYSA-N
XLogP4.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30304403
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 6620763
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 99950546
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2958511
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 30304410
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30306762
N-benzyl-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 1050013
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100764195
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 28571064
N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 1311358
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100676875
N-[(3,4-diethoxyphenyl)methyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30249333

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 100604334) is 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is CCOc1ccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is IQJNDRTZLCYAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4S/c1-2-33-21-13-11-20(12-14-21)29(34(31,32)22-9-4-3-5-10-22)17-23(30)28-16-18-7-6-8-19(15-18)24(25,26)27/h3-15H,2,16-17H2,1H3,(H,28,30).
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 492.52 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 100604334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).