N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide

C15H12ClF2NOS — CID 9209761

IUPACN-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide
SMILESO=C(CSc1cc(F)ccc1F)NCc1ccccc1Cl
InChIInChI=1S/C15H12ClF2NOS/c16-12-4-2-1-3-10(12)8-19-15(20)9-21-14-7-11(17)5-6-13(14)18/h1-7H,8-9H2,(H,19,20)
InChIKeyZHZFOJFXNOBVJX-UHFFFAOYSA-N
MW327.78 g/mol
LogP4.03
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide

N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide (PubChem CID 9209761) has the molecular formula C15H12ClF2NOS and a molecular weight of 327.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide
PubChem CID9209761
Molecular FormulaC15H12ClF2NOS
Molecular Weight327.78 g/mol
Exact Mass327.03
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide
SMILESO=C(CSc1cc(F)ccc1F)NCc1ccccc1Cl
InChIInChI=1S/C15H12ClF2NOS/c16-12-4-2-1-3-10(12)8-19-15(20)9-21-14-7-11(17)5-6-13(14)18/h1-7H,8-9H2,(H,19,20)
InChIKeyZHZFOJFXNOBVJX-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046111
N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide
CID 7736953
N-[(2-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 8543095
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2679594
2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 43305842
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7355331
N-[(2-chlorophenyl)methyl]-2-[(7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]acetamide
CID 16823442
2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 47003835
2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 9483105
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369729
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4-difluorobenzoate
CID 2555023

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide (CID 9209761) is N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide is O=C(CSc1cc(F)ccc1F)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide?
The InChIKey is ZHZFOJFXNOBVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NOS/c16-12-4-2-1-3-10(12)8-19-15(20)9-21-14-7-11(17)5-6-13(14)18/h1-7H,8-9H2,(H,19,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide?
N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide has a molecular weight of 327.78 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide is sourced from PubChem (CID 9209761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).