(2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide

C16H16FNOS — CID 8864929

IUPAC(2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide
SMILESCc1cc(F)ccc1NC(=O)[C@H](C)Sc1ccccc1
InChIInChI=1S/C16H16FNOS/c1-11-10-13(17)8-9-15(11)18-16(19)12(2)20-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyBJUMPVFAKKNVNY-LBPRGKRZSA-N
MW289.38 g/mol
LogP4.25
Rot. Bonds4

About (2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide

(2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide (PubChem CID 8864929) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide
PubChem CID8864929
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name(2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide
SMILESCc1cc(F)ccc1NC(=O)[C@H](C)Sc1ccccc1
InChIInChI=1S/C16H16FNOS/c1-11-10-13(17)8-9-15(11)18-16(19)12(2)20-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyBJUMPVFAKKNVNY-LBPRGKRZSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9142211
(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide
CID 846798
(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 8571036
N-(2-fluorophenyl)-2-phenylsulfanylpropanamide
CID 2959569
N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2947131
N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 43187416
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 887088
2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide
CID 43212453
2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 51235630
N-(2-amino-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43102247
(2R)-N-(2,5-difluorophenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 94157785
N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide
CID 43107317

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of (2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide (CID 8864929) is (2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for (2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide is Cc1cc(F)ccc1NC(=O)[C@H](C)Sc1ccccc1.
What is the InChIKey of (2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide?
The InChIKey is BJUMPVFAKKNVNY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-11-10-13(17)8-9-15(11)18-16(19)12(2)20-14-6-4-3-5-7-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide?
(2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluoro-2-methylphenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 8864929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).