3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide

C16H15Cl2NOS — CID 100606765

IUPAC3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2NOS/c1-21-15-5-3-2-4-14(15)19-16(20)9-7-11-6-8-12(17)10-13(11)18/h2-6,8,10H,7,9H2,1H3,(H,19,20)
InChIKeyJXXBWKACRYHINU-UHFFFAOYSA-N
MW340.28 g/mol
LogP5.29
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide

3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 100606765) has the molecular formula C16H15Cl2NOS and a molecular weight of 340.28 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide
PubChem CID100606765
Molecular FormulaC16H15Cl2NOS
Molecular Weight340.28 g/mol
Exact Mass339.03
IUPAC Name3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2NOS/c1-21-15-5-3-2-4-14(15)19-16(20)9-7-11-6-8-12(17)10-13(11)18/h2-6,8,10H,7,9H2,1H3,(H,19,20)
InChIKeyJXXBWKACRYHINU-UHFFFAOYSA-N
XLogP5.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.28
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea
CID 4584887
3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 100605551
3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 100606198
4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide
CID 38168905
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
[(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9254131
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7863056
N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline
CID 43229972
3-(2,4-dichlorophenyl)-N-naphthalen-2-ylpropanamide
CID 100605346
3-(2-chlorophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide
CID 31523997
N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606597
N-cyclohexyl-2-[3-(2,4-dichlorophenyl)propanoylamino]benzamide
CID 100606317

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide (CID 100606765) is 3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is JXXBWKACRYHINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NOS/c1-21-15-5-3-2-4-14(15)19-16(20)9-7-11-6-8-12(17)10-13(11)18/h2-6,8,10H,7,9H2,1H3,(H,19,20).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide?
3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 340.28 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 100606765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).