2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide

C16H16BrNOS — CID 7699280

IUPAC2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrNOS/c1-12-5-7-15(8-6-12)18-16(19)11-20-10-13-3-2-4-14(17)9-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyCQGRIWRMCJNQJD-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.63
Rot. Bonds5

About 2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide

2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide (PubChem CID 7699280) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
PubChem CID7699280
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC Name2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrNOS/c1-12-5-7-15(8-6-12)18-16(19)11-20-10-13-3-2-4-14(17)9-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyCQGRIWRMCJNQJD-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 ≤ 500350.28
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
2-[(3-bromophenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 47003826
2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide
CID 30471958
2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 30546775
propan-2-yl 3-[[2-(4-methylanilino)-2-oxoethyl]sulfanylmethyl]benzoate
CID 1179798
2-[(3-bromophenyl)methylsulfonyl]-N-(4-methylphenyl)acetamide
CID 7731168
2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7914800
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 733609
2-[(3-methylphenyl)methylsulfanyl]-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 87008284
1-[(3-bromophenyl)methylsulfanyl]-3-methylbutan-2-one
CID 58963747
4-[[2-(4-methylanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 2239528
2-[(3-bromophenyl)methylsulfanyl]-N-butylacetamide
CID 84603000

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide (CID 7699280) is 2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSCc2cccc(Br)c2)cc1.
What is the InChIKey of 2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
The InChIKey is CQGRIWRMCJNQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c1-12-5-7-15(8-6-12)18-16(19)11-20-10-13-3-2-4-14(17)9-13/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide has a molecular weight of 350.28 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 2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 7699280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).