N-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide

C15H13F2NOS — CID 26301339

IUPACN-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCc2cccc(F)c2F)cc1
InChIInChI=1S/C15H13F2NOS/c1-10(19)18-12-5-7-13(8-6-12)20-9-11-3-2-4-14(16)15(11)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJSPICMZRNDVNQM-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.22
Rot. Bonds4

About N-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide

N-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide (PubChem CID 26301339) has the molecular formula C15H13F2NOS and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide
PubChem CID26301339
Molecular FormulaC15H13F2NOS
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC NameN-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCc2cccc(F)c2F)cc1
InChIInChI=1S/C15H13F2NOS/c1-10(19)18-12-5-7-13(8-6-12)20-9-11-3-2-4-14(16)15(11)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJSPICMZRNDVNQM-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 2537006
2-[[4-[(2-fluorophenyl)methylsulfanyl]phenyl]carbamoyl]benzoic acid
CID 22784520
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638
N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide
CID 43425139
N-[4-[(5-amino-2-hydroxyphenyl)methylsulfanyl]phenyl]acetamide
CID 43377174
1-(4-acetylphenyl)-3-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]thiourea
CID 19318355
1-[4-[(2-fluoro-3-methoxyphenyl)methylsulfanyl]phenyl]ethanone
CID 104794994
N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088
N-[4-[2-[(3-fluoro-2-hydroxyanilino)methyl]phenyl]sulfanylphenyl]acetamide
CID 69011245
2-[2-(4-acetamidophenyl)sulfanylphenyl]acetic acid
CID 23967352
N-[4-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]acetamide
CID 8819584

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide (CID 26301339) is N-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide is CC(=O)Nc1ccc(SCc2cccc(F)c2F)cc1.
What is the InChIKey of N-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide?
The InChIKey is JSPICMZRNDVNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NOS/c1-10(19)18-12-5-7-13(8-6-12)20-9-11-3-2-4-14(16)15(11)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide?
N-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide has a molecular weight of 293.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-difluorophenyl)methylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 26301339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).