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

C16H15ClFNOS — CID 46621783

IUPACN-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFNOS/c1-11(21-15-8-6-14(18)7-9-15)16(20)19-10-12-2-4-13(17)5-3-12/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyIVRDLWQHYYTQEI-UHFFFAOYSA-N
MW323.82 g/mol
LogP4.28
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 46621783) has the molecular formula C16H15ClFNOS and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
PubChem CID46621783
Molecular FormulaC16H15ClFNOS
Molecular Weight323.82 g/mol
Exact Mass323.05
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFNOS/c1-11(21-15-8-6-14(18)7-9-15)16(20)19-10-12-2-4-13(17)5-3-12/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyIVRDLWQHYYTQEI-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide
CID 99999476
2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
CID 55669732
2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
CID 55821168
2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide
CID 133162697
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2,5-diethylphenyl)methyl]propanamide
CID 100746008
N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide
CID 60594314
(2R)-N-[(4-chlorophenyl)methyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 8008968
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 99864872
(2R)-N-[(2-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 26294215
(2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740706

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide (CID 46621783) is N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide is CC(Sc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is IVRDLWQHYYTQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNOS/c1-11(21-15-8-6-14(18)7-9-15)16(20)19-10-12-2-4-13(17)5-3-12/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide?
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 323.82 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 46621783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).