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

C17H18BrNOS — CID 4184529

IUPAC2-[(2-bromophenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CSCc1ccccc1Br
InChIInChI=1S/C17H18BrNOS/c1-13-6-2-3-7-14(13)10-19-17(20)12-21-11-15-8-4-5-9-16(15)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyCWGKZUMWGLSAFQ-UHFFFAOYSA-N
MW364.31 g/mol
LogP4.31
Rot. Bonds6

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

2-[(2-bromophenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 4184529) has the molecular formula C17H18BrNOS and a molecular weight of 364.31 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID4184529
Molecular FormulaC17H18BrNOS
Molecular Weight364.31 g/mol
Exact Mass363.03
IUPAC Name2-[(2-bromophenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CSCc1ccccc1Br
InChIInChI=1S/C17H18BrNOS/c1-13-6-2-3-7-14(13)10-19-17(20)12-21-11-15-8-4-5-9-16(15)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyCWGKZUMWGLSAFQ-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 3354065
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 110007036
2-[(4-methoxyphenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 53279657
N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 676282
2-[(2-methylphenyl)methylsulfanyl]-N-prop-2-ynylacetamide
CID 78815263
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
CID 7654950
2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 846734
2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 126032735
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
[2-[(2-bromophenyl)methylamino]-2-oxoethyl] 2-methylbenzoate
CID 46860420

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(2-bromophenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide (CID 4184529) is 2-[(2-bromophenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2-bromophenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2-bromophenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)CSCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is CWGKZUMWGLSAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNOS/c1-13-6-2-3-7-14(13)10-19-17(20)12-21-11-15-8-4-5-9-16(15)18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-[(2-bromophenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide?
2-[(2-bromophenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 364.31 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 4184529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).