3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide

C16H16BrNOS — CID 43011243

IUPAC3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)CCc2cccc(Br)c2)c1
InChIInChI=1S/C16H16BrNOS/c1-20-15-7-3-6-14(11-15)18-16(19)9-8-12-4-2-5-13(17)10-12/h2-7,10-11H,8-9H2,1H3,(H,18,19)
InChIKeyDOUZUXGJYGSXEA-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.74
Rot. Bonds5

About 3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide

3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 43011243) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide
PubChem CID43011243
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC Name3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)CCc2cccc(Br)c2)c1
InChIInChI=1S/C16H16BrNOS/c1-20-15-7-3-6-14(11-15)18-16(19)9-8-12-4-2-5-13(17)10-12/h2-7,10-11H,8-9H2,1H3,(H,18,19)
InChIKeyDOUZUXGJYGSXEA-UHFFFAOYSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 78783817
3-(3-aminophenyl)-N-(3-bromophenyl)propanamide
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N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
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4-(3-methylsulfanylanilino)-4-oxobutanoate
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3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 30940805
6-(3-methylsulfanylanilino)-6-oxohexanoic acid
CID 43529412
4-(4-bromophenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 5032574
3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 36590991
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
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N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
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CID 54336720

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide (CID 43011243) is 3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide is CSc1cccc(NC(=O)CCc2cccc(Br)c2)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is DOUZUXGJYGSXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c1-20-15-7-3-6-14(11-15)18-16(19)9-8-12-4-2-5-13(17)10-12/h2-7,10-11H,8-9H2,1H3,(H,18,19).
What are the key properties of 3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide?
3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 350.28 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 43011243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).