2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide

C12H18N2O3S — CID 110479076

IUPAC2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
SMILESCNCC(=O)NCCc1ccccc1S(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-13-9-12(15)14-8-7-10-5-3-4-6-11(10)18(2,16)17/h3-6,13H,7-9H2,1-2H3,(H,14,15)
InChIKeyPNUIWLCFGMPNGY-UHFFFAOYSA-N
MW270.35 g/mol
LogP-0.03
Rot. Bonds6

About 2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide

2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 110479076) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
PubChem CID110479076
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
SMILESCNCC(=O)NCCc1ccccc1S(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-13-9-12(15)14-8-7-10-5-3-4-6-11(10)18(2,16)17/h3-6,13H,7-9H2,1-2H3,(H,14,15)
InChIKeyPNUIWLCFGMPNGY-UHFFFAOYSA-N
XLogP-0.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide
CID 110470517
N-[2-(2-methylsulfonylphenyl)ethyl]propanamide
CID 110477488
2-methoxy-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
CID 110479196
N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110478158
N-methyl-2-(2-methylsulfonylphenyl)acetamide
CID 110487093
N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119772879
2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide
CID 110470575
5-acetyl-N-[2-(2-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 167799120
N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide
CID 110436884
2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine
CID 117334335
2-(2-methylsulfonylphenyl)ethanamine;hydrochloride
CID 86222883
1,1-dimethyl-3-[(2-methylsulfonylphenyl)methyl]urea
CID 110470450

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide (CID 110479076) is 2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide is CNCC(=O)NCCc1ccccc1S(C)(=O)=O.
What is the InChIKey of 2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is PNUIWLCFGMPNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-13-9-12(15)14-8-7-10-5-3-4-6-11(10)18(2,16)17/h3-6,13H,7-9H2,1-2H3,(H,14,15).
What are the key properties of 2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide?
2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 270.35 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 110479076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).