N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide

C16H15F2NOS — CID 51150831

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide
SMILESCC(NC(=O)CSc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2NOS/c1-11(12-7-8-14(17)15(18)9-12)19-16(20)10-21-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyPYUXJHNDSTWERK-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.93
Rot. Bonds5

About N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide

N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide (PubChem CID 51150831) has the molecular formula C16H15F2NOS and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide
PubChem CID51150831
Molecular FormulaC16H15F2NOS
Molecular Weight307.37 g/mol
Exact Mass307.08
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide
SMILESCC(NC(=O)CSc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2NOS/c1-11(12-7-8-14(17)15(18)9-12)19-16(20)10-21-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyPYUXJHNDSTWERK-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide
CID 43000604
2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 894218
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide
CID 7737211
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 51175691
2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2951148
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7284441
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 54990911
5-[1-(3,4-difluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662108

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide (CID 51150831) is N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide is CC(NC(=O)CSc1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide?
The InChIKey is PYUXJHNDSTWERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NOS/c1-11(12-7-8-14(17)15(18)9-12)19-16(20)10-21-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide?
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide has a molecular weight of 307.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 51150831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).