2-[methyl(1-methylsulfinylpropan-2-yl)amino]-N-phenylacetamide

C13H20N2O2S — CID 75521176

IUPAC2-[methyl(1-methylsulfinylpropan-2-yl)amino]-N-phenylacetamide
SMILESCC(CS(C)=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C13H20N2O2S/c1-11(10-18(3)17)15(2)9-13(16)14-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,14,16)
InChIKeyPBKWGLHXOQNLAA-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.32
Rot. Bonds6

About 2-[methyl(1-methylsulfinylpropan-2-yl)amino]-N-phenylacetamide

2-[methyl(1-methylsulfinylpropan-2-yl)amino]-N-phenylacetamide (PubChem CID 75521176) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[methyl(1-methylsulfinylpropan-2-yl)amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[methyl(1-methylsulfinylpropan-2-yl)amino]-N-phenylacetamide
PubChem CID75521176
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[methyl(1-methylsulfinylpropan-2-yl)amino]-N-phenylacetamide
SMILESCC(CS(C)=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C13H20N2O2S/c1-11(10-18(3)17)15(2)9-13(16)14-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,14,16)
InChIKeyPBKWGLHXOQNLAA-UHFFFAOYSA-N
XLogP1.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide
CID 97352788
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
2-[benzhydryl(methyl)amino]-N-phenylacetamide
CID 8730173
N-(2,4-dimethylphenyl)-2-[methyl(1-methylsulfinylpropan-2-yl)amino]acetamide
CID 75521175
(2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine
CID 124594306
2-[(2-anilino-2-oxoethyl)-(2-methylpropyl)amino]-N-phenylacetamide
CID 17437841
(2R)-N,N-dimethyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-phenylacetamide
CID 8785935
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 115772236
2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 86979728
N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 41176479
2-[benzhydryl(methyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 8730307
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-methylsulfinylpropan-2-yl)amino]-N-phenylacetamide?
The IUPAC name of 2-[methyl(1-methylsulfinylpropan-2-yl)amino]-N-phenylacetamide (CID 75521176) is 2-[methyl(1-methylsulfinylpropan-2-yl)amino]-N-phenylacetamide.
What is the SMILES notation for 2-[methyl(1-methylsulfinylpropan-2-yl)amino]-N-phenylacetamide?
The canonical SMILES for 2-[methyl(1-methylsulfinylpropan-2-yl)amino]-N-phenylacetamide is CC(CS(C)=O)N(C)CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[methyl(1-methylsulfinylpropan-2-yl)amino]-N-phenylacetamide?
The InChIKey is PBKWGLHXOQNLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11(10-18(3)17)15(2)9-13(16)14-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,14,16).
What are the key properties of 2-[methyl(1-methylsulfinylpropan-2-yl)amino]-N-phenylacetamide?
2-[methyl(1-methylsulfinylpropan-2-yl)amino]-N-phenylacetamide has a molecular weight of 268.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-methylsulfinylpropan-2-yl)amino]-N-phenylacetamide is sourced from PubChem (CID 75521176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).