2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide

C12H18N2OS — CID 78862578

IUPAC2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide
SMILESCSCCN(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C12H18N2OS/c1-14(8-9-16-2)10-12(15)13-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,13,15)
InChIKeyXDLKFUVQAWXPPM-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.92
Rot. Bonds6

About 2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide

2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide (PubChem CID 78862578) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide
PubChem CID78862578
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide
SMILESCSCCN(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C12H18N2OS/c1-14(8-9-16-2)10-12(15)13-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,13,15)
InChIKeyXDLKFUVQAWXPPM-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide
CID 78815657
4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide
CID 91843825
2-[5-aminopentyl(methyl)amino]-N-phenylacetamide
CID 107207153
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
5-methylsulfanyl-N-phenylpentanamide
CID 57105237
N-(4-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8785343
3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide
CID 17498635
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
N-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide
CID 112657351
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 65482728
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide?
The IUPAC name of 2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide (CID 78862578) is 2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide.
What is the SMILES notation for 2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide?
The canonical SMILES for 2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide is CSCCN(C)CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide?
The InChIKey is XDLKFUVQAWXPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-14(8-9-16-2)10-12(15)13-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,13,15).
What are the key properties of 2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide?
2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide has a molecular weight of 238.36 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide is sourced from PubChem (CID 78862578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).