2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide

C11H16N2O3S — CID 60673121

IUPAC2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
SMILESCCNCC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C11H16N2O3S/c1-3-12-8-11(14)13-9-5-4-6-10(7-9)17(2,15)16/h4-7,12H,3,8H2,1-2H3,(H,13,14)
InChIKeyVLPUCHZEYBIJRJ-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.64
Rot. Bonds5

About 2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide

2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 60673121) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
PubChem CID60673121
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
SMILESCCNCC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C11H16N2O3S/c1-3-12-8-11(14)13-9-5-4-6-10(7-9)17(2,15)16/h4-7,12H,3,8H2,1-2H3,(H,13,14)
InChIKeyVLPUCHZEYBIJRJ-UHFFFAOYSA-N
XLogP0.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylsulfonylphenyl)butanamide
CID 37391541
2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide
CID 134013213
4-hydroxy-N-(3-methylsulfonylphenyl)butanamide
CID 79193203
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 8680067
N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide
CID 37229754
2-ethyl-N-(3-methylsulfonylphenyl)butanamide
CID 47118406
2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 8971206
3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide
CID 81075821
4-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-4-oxobutanamide
CID 27334790
2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
CID 9071274
N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862201

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide (CID 60673121) is 2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide is CCNCC(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is VLPUCHZEYBIJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-12-8-11(14)13-9-5-4-6-10(7-9)17(2,15)16/h4-7,12H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide?
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 256.33 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 60673121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).