2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

C17H14F5NOS — CID 134047417

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C17H14F5NOS/c1-23(9-11-4-2-3-5-13(11)17(20,21)22)16(24)10-25-15-7-6-12(18)8-14(15)19/h2-8H,9-10H2,1H3
InChIKeyKVHINDRKTZAEPS-UHFFFAOYSA-N
MW375.36 g/mol
LogP4.73
Rot. Bonds5

About 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 134047417) has the molecular formula C17H14F5NOS and a molecular weight of 375.36 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID134047417
Molecular FormulaC17H14F5NOS
Molecular Weight375.36 g/mol
Exact Mass375.07
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C17H14F5NOS/c1-23(9-11-4-2-3-5-13(11)17(20,21)22)16(24)10-25-15-7-6-12(18)8-14(15)19/h2-8H,9-10H2,1H3
InChIKeyKVHINDRKTZAEPS-UHFFFAOYSA-N
XLogP4.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 66679315
4-[[2-(2,4-difluorophenyl)sulfanylacetyl]-methylamino]butanoic acid
CID 43360108
2-(2,4-difluorophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide
CID 8771115
N-methyl-2-(2-methylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047158
2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 112789832
2-(2,5-difluorophenyl)sulfanyl-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 9277264
methyl 4-[[2-(2,4-difluorophenyl)sulfanylacetyl]-methylamino]butanoate
CID 60714284
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134002877
(E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 134047167
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 134047380
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112786279

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (CID 134047417) is 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is CN(Cc1ccccc1C(F)(F)F)C(=O)CSc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is KVHINDRKTZAEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5NOS/c1-23(9-11-4-2-3-5-13(11)17(20,21)22)16(24)10-25-15-7-6-12(18)8-14(15)19/h2-8H,9-10H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 375.36 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 134047417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).