2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

C16H12F5NOS — CID 26635770

IUPAC2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSCc1cccc(F)c1F)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H12F5NOS/c17-12-6-3-4-10(15(12)18)8-24-9-14(23)22-13-7-2-1-5-11(13)16(19,20)21/h1-7H,8-9H2,(H,22,23)
InChIKeyQFVVWZKFICSVIZ-UHFFFAOYSA-N
MW361.34 g/mol
LogP4.86
Rot. Bonds5

About 2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 26635770) has the molecular formula C16H12F5NOS and a molecular weight of 361.34 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID26635770
Molecular FormulaC16H12F5NOS
Molecular Weight361.34 g/mol
Exact Mass361.06
IUPAC Name2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSCc1cccc(F)c1F)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H12F5NOS/c17-12-6-3-4-10(15(12)18)8-24-9-14(23)22-13-7-2-1-5-11(13)16(19,20)21/h1-7H,8-9H2,(H,22,23)
InChIKeyQFVVWZKFICSVIZ-UHFFFAOYSA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 100501688
2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55909370
2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3378077
2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 26635675
1-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17373031
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 46575785
N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7985076
2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 8967350
1-[(2-benzylsulfanylacetyl)amino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 2209458
2-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]sulfanylacetic acid
CID 115580456
2-(2,3-difluorophenyl)-N-[2-(3,3,3-trifluoropropyl)phenyl]acetamide
CID 122143183
2-[[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3387678

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 26635770) is 2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CSCc1cccc(F)c1F)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QFVVWZKFICSVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F5NOS/c17-12-6-3-4-10(15(12)18)8-24-9-14(23)22-13-7-2-1-5-11(13)16(19,20)21/h1-7H,8-9H2,(H,22,23).
What are the key properties of 2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 361.34 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 26635770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).