N-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide

C16H15ClFNOS — CID 16567890

IUPACN-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
SMILESCc1ccc(NC(=O)CCSc2ccccc2F)c(Cl)c1
InChIInChI=1S/C16H15ClFNOS/c1-11-6-7-14(12(17)10-11)19-16(20)8-9-21-15-5-3-2-4-13(15)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyZLOKJMUSUZXDCY-UHFFFAOYSA-N
MW323.82 g/mol
LogP4.91
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide

N-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide (PubChem CID 16567890) has the molecular formula C16H15ClFNOS and a molecular weight of 323.82 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
PubChem CID16567890
Molecular FormulaC16H15ClFNOS
Molecular Weight323.82 g/mol
Exact Mass323.05
IUPAC NameN-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
SMILESCc1ccc(NC(=O)CCSc2ccccc2F)c(Cl)c1
InChIInChI=1S/C16H15ClFNOS/c1-11-6-7-14(12(17)10-11)19-16(20)8-9-21-15-5-3-2-4-13(15)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyZLOKJMUSUZXDCY-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 43302341
3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 79128265
N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 16567918
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79127095
N-(2-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591754
N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 956628
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide
CID 86865949
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7229656
3-chloro-4-[[2-[2-(2-chloro-4-methylphenyl)phenyl]sulfanylacetyl]amino]benzoic acid
CID 5275171
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79128006
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
N-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26721934

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide (CID 16567890) is N-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide is Cc1ccc(NC(=O)CCSc2ccccc2F)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide?
The InChIKey is ZLOKJMUSUZXDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNOS/c1-11-6-7-14(12(17)10-11)19-16(20)8-9-21-15-5-3-2-4-13(15)18/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of N-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide?
N-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide has a molecular weight of 323.82 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 16567890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).