2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide

C17H18FNOS — CID 18153408

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)SCc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNOS/c1-12-4-3-5-16(10-12)19-17(20)13(2)21-11-14-6-8-15(18)9-7-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyCHEGXRFLZJOJOS-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.39
Rot. Bonds5

About 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide

2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide (PubChem CID 18153408) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide
PubChem CID18153408
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)SCc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNOS/c1-12-4-3-5-16(10-12)19-17(20)13(2)21-11-14-6-8-15(18)9-7-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyCHEGXRFLZJOJOS-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)propanamide
CID 41037733
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(3-methylphenyl)propanamide
CID 55570494
2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide
CID 42912749
(2S)-2-benzylsulfanyl-N-(3-bromophenyl)propanamide
CID 1095209
(2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide
CID 7389232
2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 46757746
(2S)-2-benzylsulfanyl-N-(3-chlorophenyl)propanamide
CID 846629
(2S)-2-benzylsulfanyl-N-(4-bromo-3-methylphenyl)propanamide
CID 1257680
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
(2R)-2-benzylsulfanyl-N-(3,4-dimethylphenyl)propanamide
CID 2271946
N-(3-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylpropanamide
CID 46512645
(2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 95579053

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide (CID 18153408) is 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)C(C)SCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide?
The InChIKey is CHEGXRFLZJOJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-12-4-3-5-16(10-12)19-17(20)13(2)21-11-14-6-8-15(18)9-7-14/h3-10,13H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide has a molecular weight of 303.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 18153408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).