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

C16H16BrNOS — CID 2889033

IUPACN-(2-bromophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1ccccc1Br
InChIInChI=1S/C16H16BrNOS/c1-12-6-2-3-7-13(12)10-20-11-16(19)18-15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyPMZBAXYOCCCLKH-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.63
Rot. Bonds5

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

N-(2-bromophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 2889033) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID2889033
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC NameN-(2-bromophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1ccccc1Br
InChIInChI=1S/C16H16BrNOS/c1-12-6-2-3-7-13(12)10-20-11-16(19)18-15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyPMZBAXYOCCCLKH-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-(benzylthio)-N-phenylacetamide
CID 584914
AZ12216052
CID 73755190
2-Benzylsulfanyl-N-m-tolyl-propionamide
CID 2889447
2-[(2-bromobenzyl)thio]-N-phenylacetamide
CID 875433
N-(2-fluorophenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 882943
2-Benzylsulfanyl-N-p-tolyl-propionamide
CID 2888981
2-[(4-methylbenzyl)sulfanyl]-N-phenylacetamide
CID 585002
N-(2-bromophenyl)-2-(cyclohexylthio)acetamide
CID 2914068
N-2-biphenylyl-2-[(2-methylbenzyl)thio]acetamide
CID 893736
N-(4-bromo-2-methylphenyl)-3-phenylsulfanylpropanamide
CID 1252378
N-(4-bromo-3-methylphenyl)-3-(phenylthio)propanamide
CID 1338487
3,3'-thiobis[N-(3,4-dimethylphenyl)propanamide]
CID 2165573

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 2889033) is N-(2-bromophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is PMZBAXYOCCCLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c1-12-6-2-3-7-13(12)10-20-11-16(19)18-15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-(2-bromophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-(2-bromophenyl)-2-[(2-methylphenyl)methylsulfanyl]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 N-(2-bromophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 2889033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).