2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide

C11H17N3O4S — CID 43566769

IUPAC2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CNS(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C11H17N3O4S/c1-3-13-11(15)7-14-19(16,17)10-5-4-8(12)6-9(10)18-2/h4-6,14H,3,7,12H2,1-2H3,(H,13,15)
InChIKeyVUVGRZKOZMSMAF-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.31
Rot. Bonds6

About 2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide

2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide (PubChem CID 43566769) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide
PubChem CID43566769
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CNS(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C11H17N3O4S/c1-3-13-11(15)7-14-19(16,17)10-5-4-8(12)6-9(10)18-2/h4-6,14H,3,7,12H2,1-2H3,(H,13,15)
InChIKeyVUVGRZKOZMSMAF-UHFFFAOYSA-N
XLogP-0.31
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 43310749
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665942
N-ethyl-2-[(4-methoxynaphthalen-1-yl)sulfonylamino]acetamide
CID 86985962
4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
CID 3046698
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide
CID 113303531
2-[(4-amino-2-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 61126734
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758400
4-ethylsulfonyl-3-methoxyaniline
CID 81207779
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081165

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide?
The IUPAC name of 2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide (CID 43566769) is 2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide is CCNC(=O)CNS(=O)(=O)c1ccc(N)cc1OC.
What is the InChIKey of 2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide?
The InChIKey is VUVGRZKOZMSMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-3-13-11(15)7-14-19(16,17)10-5-4-8(12)6-9(10)18-2/h4-6,14H,3,7,12H2,1-2H3,(H,13,15).
What are the key properties of 2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide?
2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide has a molecular weight of 287.34 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N-ethylacetamide is sourced from PubChem (CID 43566769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).