(2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide

C16H16FNO2S — CID 9034173

IUPAC(2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C)Sc2ccccc2F)c1
InChIInChI=1S/C16H16FNO2S/c1-11(21-15-9-4-3-8-14(15)17)16(19)18-12-6-5-7-13(10-12)20-2/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyDCAGRKWKDVTKKV-NSHDSACASA-N
MW305.37 g/mol
LogP3.95
Rot. Bonds5

About (2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide

(2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide (PubChem CID 9034173) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide
PubChem CID9034173
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name(2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C)Sc2ccccc2F)c1
InChIInChI=1S/C16H16FNO2S/c1-11(21-15-9-4-3-8-14(15)17)16(19)18-12-6-5-7-13(10-12)20-2/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyDCAGRKWKDVTKKV-NSHDSACASA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26649421
N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2942646
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide
CID 8975115
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(2-fluorophenyl)sulfanylpropanamide
CID 7964995
N-(3-methoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide
CID 19316292
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7864189
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345469
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-difluorobenzoate
CID 2515095
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate
CID 8526474

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide (CID 9034173) is (2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)[C@H](C)Sc2ccccc2F)c1.
What is the InChIKey of (2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide?
The InChIKey is DCAGRKWKDVTKKV-NSHDSACASA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-11(21-15-9-4-3-8-14(15)17)16(19)18-12-6-5-7-13(10-12)20-2/h3-11H,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide?
(2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide has a molecular weight of 305.37 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 9034173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).