2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

C22H28N2O3S — CID 9429343

IUPAC2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCOc1ccc(SCC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C22H28N2O3S/c1-6-27-18-7-9-19(10-8-18)28-14-21(26)24(5)13-20(25)23-22-16(3)11-15(2)12-17(22)4/h7-12H,6,13-14H2,1-5H3,(H,23,25)
InChIKeyGASDNVDYWHDRIT-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.20
Rot. Bonds8

About 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 9429343) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID9429343
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCOc1ccc(SCC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C22H28N2O3S/c1-6-27-18-7-9-19(10-8-18)28-14-21(26)24(5)13-20(25)23-22-16(3)11-15(2)12-17(22)4/h7-12H,6,13-14H2,1-5H3,(H,23,25)
InChIKeyGASDNVDYWHDRIT-UHFFFAOYSA-N
XLogP4.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)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

2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7478627
4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide
CID 7974208
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9428602
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9429102
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8752660
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-naphthalen-1-ylacetamide
CID 9208716
2-[[2-(4-iodophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 112761998
N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 26619662
3-(4-bromophenyl)sulfanyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 55997717
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
N-(2,5-dimethylphenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9041125
N-(2,6-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 8695010

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 9429343) is 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is CCOc1ccc(SCC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is GASDNVDYWHDRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-6-27-18-7-9-19(10-8-18)28-14-21(26)24(5)13-20(25)23-22-16(3)11-15(2)12-17(22)4/h7-12H,6,13-14H2,1-5H3,(H,23,25).
What are the key properties of 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 400.54 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 9429343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).