N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide

C17H18BrNOS — CID 112790122

IUPACN-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C17H18BrNOS/c1-13-5-3-4-6-16(13)21-12-17(20)19(2)11-14-7-9-15(18)10-8-14/h3-10H,11-12H2,1-2H3
InChIKeyMXKIBWFKSUBIBR-UHFFFAOYSA-N
MW364.31 g/mol
LogP4.51
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide

N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 112790122) has the molecular formula C17H18BrNOS and a molecular weight of 364.31 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide
PubChem CID112790122
Molecular FormulaC17H18BrNOS
Molecular Weight364.31 g/mol
Exact Mass363.03
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C17H18BrNOS/c1-13-5-3-4-6-16(13)21-12-17(20)19(2)11-14-7-9-15(18)10-8-14/h3-10H,11-12H2,1-2H3
InChIKeyMXKIBWFKSUBIBR-UHFFFAOYSA-N
XLogP4.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66093825
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
2-(4-bromophenyl)sulfanyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 26570911
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-methylphenyl)sulfanyl-N-methylacetamide
CID 30509851
N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide
CID 111695495
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 16539636
N-[(4-bromophenyl)methyl]-N-methyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42124277
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047
N-[(4-bromophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide
CID 78906458
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112786279
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 78768440
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9218856

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide (CID 112790122) is N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide is Cc1ccccc1SCC(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is MXKIBWFKSUBIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNOS/c1-13-5-3-4-6-16(13)21-12-17(20)19(2)11-14-7-9-15(18)10-8-14/h3-10H,11-12H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide?
N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 364.31 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 112790122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).