3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide

C16H16BrNOS — CID 47267332

IUPAC3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCc2ccccc2Br)cc1
InChIInChI=1S/C16H16BrNOS/c1-20-14-9-7-13(8-10-14)18-16(19)11-6-12-4-2-3-5-15(12)17/h2-5,7-10H,6,11H2,1H3,(H,18,19)
InChIKeyFVVBIKVLZMRICI-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.74
Rot. Bonds5

About 3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide

3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide (PubChem CID 47267332) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide
PubChem CID47267332
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC Name3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCc2ccccc2Br)cc1
InChIInChI=1S/C16H16BrNOS/c1-20-14-9-7-13(8-10-14)18-16(19)11-6-12-4-2-3-5-15(12)17/h2-5,7-10H,6,11H2,1H3,(H,18,19)
InChIKeyFVVBIKVLZMRICI-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

3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 42370206
3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 107272723
3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 27364914
3-(2-bromophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]propanamide
CID 55907825
3-(2-bromophenyl)-N-hydroxypropanamide
CID 130732789
5-bromo-N-(4-methylsulfanylphenyl)pentanamide
CID 107907215
4-hydroxy-N-(4-methylsulfanylphenyl)butanamide
CID 79204834
N'-(4-methylsulfanylphenyl)butanediamide
CID 142651980
3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 36590991
3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 30940805
3-(2-bromophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 108933355
4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 119273782

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide (CID 47267332) is 3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide is CSc1ccc(NC(=O)CCc2ccccc2Br)cc1.
What is the InChIKey of 3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide?
The InChIKey is FVVBIKVLZMRICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c1-20-14-9-7-13(8-10-14)18-16(19)11-6-12-4-2-3-5-15(12)17/h2-5,7-10H,6,11H2,1H3,(H,18,19).
What are the key properties of 3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide?
3-(2-bromophenyl)-N-(4-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-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 47267332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).