2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide

C12H18N2O4S — CID 81175054

IUPAC2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide
SMILESCCNC(=O)CS(=O)(=O)c1cc(OCC)ccc1N
InChIInChI=1S/C12H18N2O4S/c1-3-14-12(15)8-19(16,17)11-7-9(18-4-2)5-6-10(11)13/h5-7H,3-4,8,13H2,1-2H3,(H,14,15)
InChIKeyVYXDCDAXTWLCAZ-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.58
Rot. Bonds6

About 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide

2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide (PubChem CID 81175054) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide
PubChem CID81175054
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide
SMILESCCNC(=O)CS(=O)(=O)c1cc(OCC)ccc1N
InChIInChI=1S/C12H18N2O4S/c1-3-14-12(15)8-19(16,17)11-7-9(18-4-2)5-6-10(11)13/h5-7H,3-4,8,13H2,1-2H3,(H,14,15)
InChIKeyVYXDCDAXTWLCAZ-UHFFFAOYSA-N
XLogP0.58
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175778
2-(2-amino-5-ethoxyphenyl)sulfonylacetamide
CID 81176156
4-ethoxy-2-(ethoxymethylsulfonyl)aniline
CID 81174679
4-ethoxy-2-(2-fluoroethylsulfonyl)aniline
CID 81176417
2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide
CID 81190734
6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol
CID 107707390
4-ethoxy-2-(3-methylbutylsulfonyl)aniline
CID 81175786
2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide
CID 81183009
4-ethoxy-2-(4-methoxybutylsulfonyl)aniline
CID 104650980
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81176298
2-(2-amino-5-methoxyphenyl)sulfonylacetamide
CID 81207136
4-ethoxy-2-[2-(trifluoromethoxy)ethylsulfonyl]aniline
CID 81174673

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide?
The IUPAC name of 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide (CID 81175054) is 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide is CCNC(=O)CS(=O)(=O)c1cc(OCC)ccc1N.
What is the InChIKey of 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide?
The InChIKey is VYXDCDAXTWLCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-14-12(15)8-19(16,17)11-7-9(18-4-2)5-6-10(11)13/h5-7H,3-4,8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide?
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide has a molecular weight of 286.35 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide is sourced from PubChem (CID 81175054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).