2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide

C22H19F3N2O3S2 — CID 126268693

IUPAC2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19F3N2O3S2/c1-31-20-13-6-5-12-19(20)26-21(28)15-27(32(29,30)18-10-3-2-4-11-18)17-9-7-8-16(14-17)22(23,24)25/h2-14H,15H2,1H3,(H,26,28)
InChIKeyHPRJFOZXDUFJRY-UHFFFAOYSA-N
MW480.53 g/mol
LogP5.26
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide

2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 126268693) has the molecular formula C22H19F3N2O3S2 and a molecular weight of 480.53 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID126268693
Molecular FormulaC22H19F3N2O3S2
Molecular Weight480.53 g/mol
Exact Mass480.08
IUPAC Name2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19F3N2O3S2/c1-31-20-13-6-5-12-19(20)26-21(28)15-27(32(29,30)18-10-3-2-4-11-18)17-9-7-8-16(14-17)22(23,24)25/h2-14H,15H2,1H3,(H,26,28)
InChIKeyHPRJFOZXDUFJRY-UHFFFAOYSA-N
XLogP5.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.53
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylphenyl)acetamide
CID 30169726
2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126149658
2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 1210649
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 126135839
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30304561
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide
CID 1337269
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3,4-dimethoxyphenyl)acetamide
CID 1099952
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43881113
2-[[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzoic acid
CID 1265964
2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 126137005
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1336235
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 43899593

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide (CID 126268693) is 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is HPRJFOZXDUFJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3S2/c1-31-20-13-6-5-12-19(20)26-21(28)15-27(32(29,30)18-10-3-2-4-11-18)17-9-7-8-16(14-17)22(23,24)25/h2-14H,15H2,1H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide?
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 480.53 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 126268693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).