2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

C18H17ClF3NOS — CID 7744043

IUPAC2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C18H17ClF3NOS/c1-10-6-11(2)17(12(3)7-10)23-16(24)9-25-13-4-5-15(19)14(8-13)18(20,21)22/h4-8H,9H2,1-3H3,(H,23,24)
InChIKeyXFFPFQVJECKCMZ-UHFFFAOYSA-N
MW387.85 g/mol
LogP6.01
Rot. Bonds4

About 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 7744043) has the molecular formula C18H17ClF3NOS and a molecular weight of 387.85 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID7744043
Molecular FormulaC18H17ClF3NOS
Molecular Weight387.85 g/mol
Exact Mass387.07
IUPAC Name2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C18H17ClF3NOS/c1-10-6-11(2)17(12(3)7-10)23-16(24)9-25-13-4-5-15(19)14(8-13)18(20,21)22/h4-8H,9H2,1-3H3,(H,23,24)
InChIKeyXFFPFQVJECKCMZ-UHFFFAOYSA-N
XLogP6.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.85
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 735121
N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2704735
N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7363976
2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]-N-methylacetamide
CID 8789728
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 7744036
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 16514513
N-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 4847268
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-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]-methylamino]-N-methylacetamide
CID 8789689
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7744021
2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 16514536

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (CID 7744043) is 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CSc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is XFFPFQVJECKCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NOS/c1-10-6-11(2)17(12(3)7-10)23-16(24)9-25-13-4-5-15(19)14(8-13)18(20,21)22/h4-8H,9H2,1-3H3,(H,23,24).
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 387.85 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 7744043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).