2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide

C13H20N2O4S — CID 30168858

IUPAC2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide
SMILESCCOc1ccccc1N(CC(=O)N(C)C)S(C)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-5-19-12-9-7-6-8-11(12)15(20(4,17)18)10-13(16)14(2)3/h6-9H,5,10H2,1-4H3
InChIKeyIECRSJDWVOLGIZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.94
Rot. Bonds6

About 2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide

2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide (PubChem CID 30168858) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide
PubChem CID30168858
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide
SMILESCCOc1ccccc1N(CC(=O)N(C)C)S(C)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-5-19-12-9-7-6-8-11(12)15(20(4,17)18)10-13(16)14(2)3/h6-9H,5,10H2,1-4H3
InChIKeyIECRSJDWVOLGIZ-UHFFFAOYSA-N
XLogP0.94
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846617
N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 3139134
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2R)-pentan-2-yl]acetamide
CID 7318338
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100563293
N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 846470
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113070548
2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 2271078
ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076442
N-(3-bromophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 1098136
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99950083
N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 113155262
N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 998401

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide (CID 30168858) is 2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide is CCOc1ccccc1N(CC(=O)N(C)C)S(C)(=O)=O.
What is the InChIKey of 2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide?
The InChIKey is IECRSJDWVOLGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-5-19-12-9-7-6-8-11(12)15(20(4,17)18)10-13(16)14(2)3/h6-9H,5,10H2,1-4H3.
What are the key properties of 2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide?
2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide has a molecular weight of 300.38 g/mol, XLogP of 0.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 30168858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).