2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide

C18H19F2NOS — CID 134008249

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide
SMILESCCC(CNC(=O)CSc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C18H19F2NOS/c1-2-13(14-6-4-3-5-7-14)11-21-18(22)12-23-15-8-9-16(19)17(20)10-15/h3-10,13H,2,11-12H2,1H3,(H,21,22)
InChIKeyMIEDSYMOFPECNF-UHFFFAOYSA-N
MW335.42 g/mol
LogP4.37
Rot. Bonds7

About 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide

2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide (PubChem CID 134008249) has the molecular formula C18H19F2NOS and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide
PubChem CID134008249
Molecular FormulaC18H19F2NOS
Molecular Weight335.42 g/mol
Exact Mass335.12
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide
SMILESCCC(CNC(=O)CSc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C18H19F2NOS/c1-2-13(14-6-4-3-5-7-14)11-21-18(22)12-23-15-8-9-16(19)17(20)10-15/h3-10,13H,2,11-12H2,1H3,(H,21,22)
InChIKeyMIEDSYMOFPECNF-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-(2-phenylbutyl)benzamide
CID 43016062
N-(3,3-difluoro-2-hydroxypropyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 103770230
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
N-(2-acetamidoethyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 78811528
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide
CID 51190392
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 54990911
2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide
CID 26687345
N-[cyclopropyl(phenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide
CID 18131654
2-(3,4-difluorophenyl)sulfanyl-N-[3-(methylamino)propyl]acetamide
CID 119432812
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 79011227
N-(2-ethylbutyl)-2-phenylsulfanylacetamide
CID 115612630
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-phenylpropanoic acid
CID 99779679

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide (CID 134008249) is 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide is CCC(CNC(=O)CSc1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide?
The InChIKey is MIEDSYMOFPECNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NOS/c1-2-13(14-6-4-3-5-7-14)11-21-18(22)12-23-15-8-9-16(19)17(20)10-15/h3-10,13H,2,11-12H2,1H3,(H,21,22).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide has a molecular weight of 335.42 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide is sourced from PubChem (CID 134008249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).