N-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide

C19H21BrN2O2S — CID 27801085

IUPACN-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide
SMILESCc1ccc(C)c(SCC(=O)N(C)CC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C19H21BrN2O2S/c1-13-8-9-14(2)17(10-13)25-12-19(24)22(3)11-18(23)21-16-7-5-4-6-15(16)20/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyFYVNSMSAFWRLNI-UHFFFAOYSA-N
MW421.36 g/mol
LogP4.26
Rot. Bonds6

About N-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide

N-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide (PubChem CID 27801085) has the molecular formula C19H21BrN2O2S and a molecular weight of 421.36 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide
PubChem CID27801085
Molecular FormulaC19H21BrN2O2S
Molecular Weight421.36 g/mol
Exact Mass420.05
IUPAC NameN-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide
SMILESCc1ccc(C)c(SCC(=O)N(C)CC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C19H21BrN2O2S/c1-13-8-9-14(2)17(10-13)25-12-19(24)22(3)11-18(23)21-16-7-5-4-6-15(16)20/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyFYVNSMSAFWRLNI-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide 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

N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 40713724
2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 18273296
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 8503043
N-(2,5-dimethylphenyl)-2-[methyl-[2-(2-nitrophenyl)sulfanylacetyl]amino]acetamide
CID 9479640
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide
CID 79143132
N-(2,5-dimethylphenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9041125
N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
CID 4092566
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290
N-(2-chlorophenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 7799529
N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide
CID 108953594
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112786279
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide (CID 27801085) is N-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide is Cc1ccc(C)c(SCC(=O)N(C)CC(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide?
The InChIKey is FYVNSMSAFWRLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2S/c1-13-8-9-14(2)17(10-13)25-12-19(24)22(3)11-18(23)21-16-7-5-4-6-15(16)20/h4-10H,11-12H2,1-3H3,(H,21,23).
What are the key properties of N-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide?
N-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide has a molecular weight of 421.36 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]acetamide is sourced from PubChem (CID 27801085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).