2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

C23H20ClF3N2O3S — CID 1339520

IUPAC2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCCc1ccccc1N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H20ClF3N2O3S/c1-2-16-8-6-7-11-21(16)29(33(31,32)18-9-4-3-5-10-18)15-22(30)28-17-12-13-20(24)19(14-17)23(25,26)27/h3-14H,2,15H2,1H3,(H,28,30)
InChIKeyYDAJOUBLDZFRBK-UHFFFAOYSA-N
MW496.94 g/mol
LogP5.76
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1339520) has the molecular formula C23H20ClF3N2O3S and a molecular weight of 496.94 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID1339520
Molecular FormulaC23H20ClF3N2O3S
Molecular Weight496.94 g/mol
Exact Mass496.08
IUPAC Name2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCCc1ccccc1N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H20ClF3N2O3S/c1-2-16-8-6-7-11-21(16)29(33(31,32)18-9-4-3-5-10-18)15-22(30)28-17-12-13-20(24)19(14-17)23(25,26)27/h3-14H,2,15H2,1H3,(H,28,30)
InChIKeyYDAJOUBLDZFRBK-UHFFFAOYSA-N
XLogP5.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.94
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2194413
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1337093
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 51343377
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 126131340
ethyl 4-[[2-[N-(benzenesulfonyl)-2-ethylanilino]acetyl]amino]-2-chlorobenzoate
CID 30303931
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 1338012
2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1331347
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 126035444
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344429
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 51344097
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(4-ethoxyphenyl)acetamide
CID 2273103
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126411792

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 1339520) is 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is CCc1ccccc1N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YDAJOUBLDZFRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O3S/c1-2-16-8-6-7-11-21(16)29(33(31,32)18-9-4-3-5-10-18)15-22(30)28-17-12-13-20(24)19(14-17)23(25,26)27/h3-14H,2,15H2,1H3,(H,28,30).
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 496.94 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1339520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).