(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(3-fluorophenyl)propanamide

C17H18FNOS — CID 8736843

IUPAC(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(3-fluorophenyl)propanamide
SMILESCc1ccc(S[C@@H](C)C(=O)Nc2cccc(F)c2)cc1C
InChIInChI=1S/C17H18FNOS/c1-11-7-8-16(9-12(11)2)21-13(3)17(20)19-15-6-4-5-14(18)10-15/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyNUZXBNREICGPRZ-ZDUSSCGKSA-N
MW303.40 g/mol
LogP4.56
Rot. Bonds4

About (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(3-fluorophenyl)propanamide

(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(3-fluorophenyl)propanamide (PubChem CID 8736843) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(3-fluorophenyl)propanamide
PubChem CID8736843
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(3-fluorophenyl)propanamide
SMILESCc1ccc(S[C@@H](C)C(=O)Nc2cccc(F)c2)cc1C
InChIInChI=1S/C17H18FNOS/c1-11-7-8-16(9-12(11)2)21-13(3)17(20)19-15-6-4-5-14(18)10-15/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyNUZXBNREICGPRZ-ZDUSSCGKSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)propanamide
CID 8851409
4-[[(2S)-2-(3,4-dimethylphenyl)sulfanylpropanoyl]amino]benzamide
CID 8633884
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide
CID 8975115
(2R)-N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)sulfanylpropanamide
CID 2591470
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 7456444
(2R)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-fluorophenyl)propanamide
CID 9382876
N-(3,4-dimethylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanamide
CID 19316560
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8633890
(2S)-N-(3-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8890282
4-[3-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobutanoic acid
CID 18897003
N-[3-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18907863
(2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 951511

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(3-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(3-fluorophenyl)propanamide (CID 8736843) is (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(3-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(3-fluorophenyl)propanamide is Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(F)c2)cc1C.
What is the InChIKey of (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(3-fluorophenyl)propanamide?
The InChIKey is NUZXBNREICGPRZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-11-7-8-16(9-12(11)2)21-13(3)17(20)19-15-6-4-5-14(18)10-15/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(3-fluorophenyl)propanamide?
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(3-fluorophenyl)propanamide has a molecular weight of 303.40 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 8736843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).