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

C16H15Cl2NOS — CID 100606198

IUPAC3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H15Cl2NOS/c1-21-14-4-2-3-13(10-14)19-16(20)8-6-11-5-7-12(17)9-15(11)18/h2-5,7,9-10H,6,8H2,1H3,(H,19,20)
InChIKeyCXHUDIPPMMBRFA-UHFFFAOYSA-N
MW340.28 g/mol
LogP5.29
Rot. Bonds5

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

3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 100606198) has the molecular formula C16H15Cl2NOS and a molecular weight of 340.28 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
PubChem CID100606198
Molecular FormulaC16H15Cl2NOS
Molecular Weight340.28 g/mol
Exact Mass339.03
IUPAC Name3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H15Cl2NOS/c1-21-14-4-2-3-13(10-14)19-16(20)8-6-11-5-7-12(17)9-15(11)18/h2-5,7,9-10H,6,8H2,1H3,(H,19,20)
InChIKeyCXHUDIPPMMBRFA-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

Analyze 3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 30940805
N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606597
3-(2,4-dichlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 55567336
3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 100605483
3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 100606765
3-(2,4-dichlorophenyl)-N-naphthalen-2-ylpropanamide
CID 100605346
N-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide
CID 109033478
N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606713
4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
CID 119262097
4-(3-methylsulfanylanilino)-4-oxobutanoate
CID 4085618
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 100605551

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide (CID 100606198) is 3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide is CSc1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is CXHUDIPPMMBRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NOS/c1-21-14-4-2-3-13(10-14)19-16(20)8-6-11-5-7-12(17)9-15(11)18/h2-5,7,9-10H,6,8H2,1H3,(H,19,20).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide?
3-(2,4-dichlorophenyl)-N-(3-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-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 100606198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).