N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide

C16H16BrNOS — CID 544368

IUPACN-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNOS/c1-12-2-8-15(9-3-12)20-11-10-16(19)18-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyDLZHZMJWOBYKNY-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.88
Rot. Bonds5

About N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide

N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 544368) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID544368
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC NameN-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNOS/c1-12-2-8-15(9-3-12)20-11-10-16(19)18-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyDLZHZMJWOBYKNY-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23889516
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546484
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126135356
N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26800978
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 9494987
N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086197
N-(4-bromophenyl)-3-methylsulfanylpropanamide
CID 43082407
3-(4-bromophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 3664287
1-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-(4-methylphenyl)urea
CID 51179263
N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23973490
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546514
N-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)sulfanylpropanamide
CID 52558754

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide (CID 544368) is N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is DLZHZMJWOBYKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c1-12-2-8-15(9-3-12)20-11-10-16(19)18-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide?
N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 350.28 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 544368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).