2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-methylamino]-N-methylacetamide

C13H14ClF3N2O2S — CID 8789689

IUPAC2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(=O)CSc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H14ClF3N2O2S/c1-18-11(20)6-19(2)12(21)7-22-8-3-4-10(14)9(5-8)13(15,16)17/h3-5H,6-7H2,1-2H3,(H,18,20)
InChIKeyBTYJXJCTXAXJJD-UHFFFAOYSA-N
MW354.78 g/mol
LogP2.66
Rot. Bonds5

About 2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-methylamino]-N-methylacetamide

2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-methylamino]-N-methylacetamide (PubChem CID 8789689) has the molecular formula C13H14ClF3N2O2S and a molecular weight of 354.78 g/mol. Its IUPAC name is 2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-methylamino]-N-methylacetamide
PubChem CID8789689
Molecular FormulaC13H14ClF3N2O2S
Molecular Weight354.78 g/mol
Exact Mass354.04
IUPAC Name2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C(=O)CSc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H14ClF3N2O2S/c1-18-11(20)6-19(2)12(21)7-22-8-3-4-10(14)9(5-8)13(15,16)17/h3-5H,6-7H2,1-2H3,(H,18,20)
InChIKeyBTYJXJCTXAXJJD-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.78
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]-N-methylacetamide
CID 8789728
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 7744043
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 16514513
2-[[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8680520
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 52972735
N-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 8789742
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7744021
N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7363976
1-chloro-4-ethylsulfanyl-2-(trifluoromethyl)benzene
CID 91876352
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 2577678
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 7744036
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7744050

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-methylamino]-N-methylacetamide (CID 8789689) is 2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)C(=O)CSc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-methylamino]-N-methylacetamide?
The InChIKey is BTYJXJCTXAXJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O2S/c1-18-11(20)6-19(2)12(21)7-22-8-3-4-10(14)9(5-8)13(15,16)17/h3-5H,6-7H2,1-2H3,(H,18,20).
What are the key properties of 2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-methylamino]-N-methylacetamide?
2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-methylamino]-N-methylacetamide has a molecular weight of 354.78 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 8789689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).