2-(2-amino-5-methylphenyl)sulfonyl-N-ethyl-N-methylacetamide

C12H18N2O3S — CID 81183484

IUPAC2-(2-amino-5-methylphenyl)sulfonyl-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CS(=O)(=O)c1cc(C)ccc1N
InChIInChI=1S/C12H18N2O3S/c1-4-14(3)12(15)8-18(16,17)11-7-9(2)5-6-10(11)13/h5-7H,4,8,13H2,1-3H3
InChIKeyKYAJWIHDVHDXEB-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.83
Rot. Bonds4

About 2-(2-amino-5-methylphenyl)sulfonyl-N-ethyl-N-methylacetamide

2-(2-amino-5-methylphenyl)sulfonyl-N-ethyl-N-methylacetamide (PubChem CID 81183484) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenyl)sulfonyl-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-methylphenyl)sulfonyl-N-ethyl-N-methylacetamide
PubChem CID81183484
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(2-amino-5-methylphenyl)sulfonyl-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CS(=O)(=O)c1cc(C)ccc1N
InChIInChI=1S/C12H18N2O3S/c1-4-14(3)12(15)8-18(16,17)11-7-9(2)5-6-10(11)13/h5-7H,4,8,13H2,1-3H3
InChIKeyKYAJWIHDVHDXEB-UHFFFAOYSA-N
XLogP0.83
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenyl)sulfonyl-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(2-amino-5-methylphenyl)sulfonyl-N-ethyl-N-methylacetamide (CID 81183484) is 2-(2-amino-5-methylphenyl)sulfonyl-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-5-methylphenyl)sulfonyl-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(2-amino-5-methylphenyl)sulfonyl-N-ethyl-N-methylacetamide is CCN(C)C(=O)CS(=O)(=O)c1cc(C)ccc1N.
What is the InChIKey of 2-(2-amino-5-methylphenyl)sulfonyl-N-ethyl-N-methylacetamide?
The InChIKey is KYAJWIHDVHDXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-14(3)12(15)8-18(16,17)11-7-9(2)5-6-10(11)13/h5-7H,4,8,13H2,1-3H3.
What are the key properties of 2-(2-amino-5-methylphenyl)sulfonyl-N-ethyl-N-methylacetamide?
2-(2-amino-5-methylphenyl)sulfonyl-N-ethyl-N-methylacetamide has a molecular weight of 270.35 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenyl)sulfonyl-N-ethyl-N-methylacetamide is sourced from PubChem (CID 81183484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).