3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide

C16H16ClNOS — CID 30940805

IUPAC3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)CCc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNOS/c1-20-14-7-4-6-13(11-14)18-16(19)10-9-12-5-2-3-8-15(12)17/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyKBJUABCPJCDOLX-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.63
Rot. Bonds5

About 3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide

3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 30940805) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
PubChem CID30940805
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC Name3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)CCc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNOS/c1-20-14-7-4-6-13(11-14)18-16(19)10-9-12-5-2-3-8-15(12)17/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyKBJUABCPJCDOLX-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
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4-(3-methylsulfanylanilino)-4-oxobutanoate
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3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
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3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide
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6-(3-methylsulfanylanilino)-6-oxohexanoic acid
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3-(2,3-dichlorophenyl)-N-phenylpropanamide
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N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
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4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
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3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide
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2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide (CID 30940805) is 3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide is CSc1cccc(NC(=O)CCc2ccccc2Cl)c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is KBJUABCPJCDOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-20-14-7-4-6-13(11-14)18-16(19)10-9-12-5-2-3-8-15(12)17/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of 3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide?
3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 305.83 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 30940805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).