N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide

C19H22N2O2S — CID 26619662

IUPACN-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CSc1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-14-8-7-9-15(2)19(14)20-17(22)12-21(3)18(23)13-24-16-10-5-4-6-11-16/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyCAHVXDLANHROIL-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.49
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide

N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide (PubChem CID 26619662) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide
PubChem CID26619662
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CSc1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-14-8-7-9-15(2)19(14)20-17(22)12-21(3)18(23)13-24-16-10-5-4-6-11-16/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyCAHVXDLANHROIL-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7478627
N-(2,6-dimethylphenyl)-2-[methyl-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 42294980
N-(2,6-dimethylphenyl)-2-[methyl-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide
CID 9290027
(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9437869
N-(2,6-dimethylphenyl)-2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide
CID 26619713
N-(2,6-dimethylphenyl)-2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetamide
CID 8988394
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9429343
2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772528
N-(2,6-dimethylphenyl)-2-[methyl-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]acetamide
CID 27916172
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 27807987
4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 119267877
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
CID 9437503

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide (CID 26619662) is N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)CSc1ccccc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide?
The InChIKey is CAHVXDLANHROIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-14-8-7-9-15(2)19(14)20-17(22)12-21(3)18(23)13-24-16-10-5-4-6-11-16/h4-11H,12-13H2,1-3H3,(H,20,22).
What are the key properties of N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide?
N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide has a molecular weight of 342.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide is sourced from PubChem (CID 26619662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).