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

C17H14F5NOS — CID 99152330

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(CSc1ccc(F)cc1F)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F5NOS/c18-13-5-6-15(14(19)9-13)25-10-16(24)23-8-7-11-1-3-12(4-2-11)17(20,21)22/h1-6,9H,7-8,10H2,(H,23,24)
InChIKeyXIDRIYHXRLQMQM-UHFFFAOYSA-N
MW375.36 g/mol
LogP4.43
Rot. Bonds6

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

2-(2,4-difluorophenyl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 99152330) has the molecular formula C17H14F5NOS and a molecular weight of 375.36 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID99152330
Molecular FormulaC17H14F5NOS
Molecular Weight375.36 g/mol
Exact Mass375.07
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(CSc1ccc(F)cc1F)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14F5NOS/c18-13-5-6-15(14(19)9-13)25-10-16(24)23-8-7-11-1-3-12(4-2-11)17(20,21)22/h1-6,9H,7-8,10H2,(H,23,24)
InChIKeyXIDRIYHXRLQMQM-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 9046240
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 30315085
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743
2-(4-nitrophenyl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26594277
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 30474620
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 31482762
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26594302
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 24644483
methyl 4-[[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]methyl]benzoate
CID 9046148
N-[2-(4-fluorophenyl)ethyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 36852770
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
(2R)-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid
CID 103926709

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 99152330) is 2-(2,4-difluorophenyl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is O=C(CSc1ccc(F)cc1F)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is XIDRIYHXRLQMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5NOS/c18-13-5-6-15(14(19)9-13)25-10-16(24)23-8-7-11-1-3-12(4-2-11)17(20,21)22/h1-6,9H,7-8,10H2,(H,23,24).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
2-(2,4-difluorophenyl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 375.36 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 99152330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).