(2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide

C16H15F2NOS — CID 978027

IUPAC(2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C16H15F2NOS/c1-10-6-8-12(9-7-10)21-11(2)16(20)19-15-13(17)4-3-5-14(15)18/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyAVUHNGKKSVCRTQ-NSHDSACASA-N
MW307.37 g/mol
LogP4.39
Rot. Bonds4

About (2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide

(2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 978027) has the molecular formula C16H15F2NOS and a molecular weight of 307.37 g/mol. Its IUPAC name is (2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID978027
Molecular FormulaC16H15F2NOS
Molecular Weight307.37 g/mol
Exact Mass307.08
IUPAC Name(2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C16H15F2NOS/c1-10-6-8-12(9-7-10)21-11(2)16(20)19-15-13(17)4-3-5-14(15)18/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyAVUHNGKKSVCRTQ-NSHDSACASA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 9142237
(2R)-N-(2,6-difluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8552931
(2R)-N-(2,6-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 8735122
(2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 951511
N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2947131
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide
CID 9180009
N-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide
CID 22777805
N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 43093514
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
(2S)-2-(3,4-difluorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 7737187
(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 7737186
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide (CID 978027) is (2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(S[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1.
What is the InChIKey of (2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is AVUHNGKKSVCRTQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H15F2NOS/c1-10-6-8-12(9-7-10)21-11(2)16(20)19-15-13(17)4-3-5-14(15)18/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
(2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 307.37 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 978027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).