2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide

C11H16N2O3S — CID 81190734

IUPAC2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide
SMILESCCNC(=O)CS(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C11H16N2O3S/c1-3-13-11(14)7-17(15,16)10-6-4-5-9(12)8(10)2/h4-6H,3,7,12H2,1-2H3,(H,13,14)
InChIKeyQTFJBQBZOTYPBR-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.49
Rot. Bonds4

About 2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide

2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide (PubChem CID 81190734) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide
PubChem CID81190734
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide
SMILESCCNC(=O)CS(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C11H16N2O3S/c1-3-13-11(14)7-17(15,16)10-6-4-5-9(12)8(10)2/h4-6H,3,7,12H2,1-2H3,(H,13,14)
InChIKeyQTFJBQBZOTYPBR-UHFFFAOYSA-N
XLogP0.49
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-2-methylphenyl)sulfonyl-N-carbamoylacetamide
CID 81190318
2-[(3-amino-2-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 55134560
2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-ethylacetamide
CID 81174568
2-(3-amino-2-methylanilino)-N-ethylacetamide
CID 63077987
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-ethylacetamide
CID 81175054
2-(2-aminophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 61368377
3-(3-amino-2-methylphenoxy)-N-ethylpropanamide
CID 62326727
2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81187306
2-(3-amino-2-methylphenyl)sulfonylacetonitrile
CID 81190225
2-methyl-3-[2-oxo-2-(prop-2-enylamino)ethyl]sulfonylbenzoic acid
CID 81444439
1-(3-amino-2-methylphenyl)-3-ethylurea
CID 43164799
2-[(2-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114465

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide?
The IUPAC name of 2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide (CID 81190734) is 2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide.
What is the SMILES notation for 2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide?
The canonical SMILES for 2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide is CCNC(=O)CS(=O)(=O)c1cccc(N)c1C.
What is the InChIKey of 2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide?
The InChIKey is QTFJBQBZOTYPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-13-11(14)7-17(15,16)10-6-4-5-9(12)8(10)2/h4-6H,3,7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide?
2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide has a molecular weight of 256.33 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide is sourced from PubChem (CID 81190734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).