2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide

C12H18N2O3S — CID 30464380

IUPAC2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CN(C)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C12H18N2O3S/c1-10(11-7-5-4-6-8-11)13-12(15)9-14(2)18(3,16)17/h4-8,10H,9H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyDHLFZJGLWQCRPZ-JTQLQIEISA-N
MW270.35 g/mol
LogP0.76
Rot. Bonds5

About 2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide

2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 30464380) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID30464380
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CN(C)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C12H18N2O3S/c1-10(11-7-5-4-6-8-11)13-12(15)9-14(2)18(3,16)17/h4-8,10H,9H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyDHLFZJGLWQCRPZ-JTQLQIEISA-N
XLogP0.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464739
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 7917911
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 7917913
2-[methylsulfonyl(propyl)amino]-N-(1-phenylethyl)acetamide
CID 113147480
2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide
CID 43906894
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2854471
2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide
CID 55552669
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 30257133
2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide
CID 133260926
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 133201701

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide (CID 30464380) is 2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)CN(C)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is DHLFZJGLWQCRPZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-10(11-7-5-4-6-8-11)13-12(15)9-14(2)18(3,16)17/h4-8,10H,9H2,1-3H3,(H,13,15)/t10-/m0/s1.
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide?
2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 270.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 30464380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).