2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide

C18H19F2NOS — CID 7737232

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CSc1ccc(F)c(F)c1)c1ccc(C)cc1
InChIInChI=1S/C18H19F2NOS/c1-3-17(13-6-4-12(2)5-7-13)21-18(22)11-23-14-8-9-15(19)16(20)10-14/h4-10,17H,3,11H2,1-2H3,(H,21,22)/t17-/m1/s1
InChIKeyKDAUGUCHJJNXQJ-QGZVFWFLSA-N
MW335.42 g/mol
LogP4.63
Rot. Bonds6

About 2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide

2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide (PubChem CID 7737232) has the molecular formula C18H19F2NOS and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
PubChem CID7737232
Molecular FormulaC18H19F2NOS
Molecular Weight335.42 g/mol
Exact Mass335.12
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CSc1ccc(F)c(F)c1)c1ccc(C)cc1
InChIInChI=1S/C18H19F2NOS/c1-3-17(13-6-4-12(2)5-7-13)21-18(22)11-23-14-8-9-15(19)16(20)10-14/h4-10,17H,3,11H2,1-2H3,(H,21,22)/t17-/m1/s1
InChIKeyKDAUGUCHJJNXQJ-QGZVFWFLSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 9155685
2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methylphenyl)propyl]acetamide
CID 132761737
2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide
CID 43905510
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 54990911
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 79011227
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 132652855
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 92672507
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 28956181
2-[(4-methylphenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94016651
N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide
CID 9296915
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide (CID 7737232) is 2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide is CC[C@@H](NC(=O)CSc1ccc(F)c(F)c1)c1ccc(C)cc1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The InChIKey is KDAUGUCHJJNXQJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19F2NOS/c1-3-17(13-6-4-12(2)5-7-13)21-18(22)11-23-14-8-9-15(19)16(20)10-14/h4-10,17H,3,11H2,1-2H3,(H,21,22)/t17-/m1/s1.
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]acetamide has a molecular weight of 335.42 g/mol, XLogP of 4.63, 6 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-[(1R)-1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 7737232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).