N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide

C17H18FNOS — CID 2977027

IUPACN-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNOS/c1-12-3-9-16(10-4-12)21-13(2)17(20)19-11-14-5-7-15(18)8-6-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyAOKWHNMSACHSFZ-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.93
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide

N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 2977027) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID2977027
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNOS/c1-12-3-9-16(10-4-12)21-13(2)17(20)19-11-14-5-7-15(18)8-6-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyAOKWHNMSACHSFZ-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide (CID 2977027) is N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SC(C)C(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is AOKWHNMSACHSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-12-3-9-16(10-4-12)21-13(2)17(20)19-11-14-5-7-15(18)8-6-14/h3-10,13H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide?
N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 303.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 2977027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).