2-(2-amino-3-sulfamoylanilino)-N-methylacetamide

C9H14N4O3S — CID 112674675

IUPAC2-(2-amino-3-sulfamoylanilino)-N-methylacetamide
SMILESCNC(=O)CNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C9H14N4O3S/c1-12-8(14)5-13-6-3-2-4-7(9(6)10)17(11,15)16/h2-4,13H,5,10H2,1H3,(H,12,14)(H2,11,15,16)
InChIKeyAYQGQGSEEJYZDN-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.93
Rot. Bonds4

About 2-(2-amino-3-sulfamoylanilino)-N-methylacetamide

2-(2-amino-3-sulfamoylanilino)-N-methylacetamide (PubChem CID 112674675) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(2-amino-3-sulfamoylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-3-sulfamoylanilino)-N-methylacetamide
PubChem CID112674675
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name2-(2-amino-3-sulfamoylanilino)-N-methylacetamide
SMILESCNC(=O)CNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C9H14N4O3S/c1-12-8(14)5-13-6-3-2-4-7(9(6)10)17(11,15)16/h2-4,13H,5,10H2,1H3,(H,12,14)(H2,11,15,16)
InChIKeyAYQGQGSEEJYZDN-UHFFFAOYSA-N
XLogP-0.93
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-3-[[2-(methylamino)-2-oxoethyl]amino]benzoate
CID 113332560
2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102903616
2-(2-amino-3-sulfamoylanilino)-2-methylpropanamide
CID 112674844
2-amino-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 112674920
2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide
CID 112674946
2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632
2-amino-3-[[2-(dimethylamino)-2-methylpropyl]amino]benzenesulfonamide
CID 112674811
2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 115992788
2-(2-amino-N-propyl-3-sulfamoylanilino)-N-methylacetamide
CID 115992518
2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide
CID 106284293
2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide
CID 112674921
2-amino-3-(3-methoxypropylamino)benzenesulfonamide
CID 112674652

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-sulfamoylanilino)-N-methylacetamide?
The IUPAC name of 2-(2-amino-3-sulfamoylanilino)-N-methylacetamide (CID 112674675) is 2-(2-amino-3-sulfamoylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-3-sulfamoylanilino)-N-methylacetamide?
The canonical SMILES for 2-(2-amino-3-sulfamoylanilino)-N-methylacetamide is CNC(=O)CNc1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-(2-amino-3-sulfamoylanilino)-N-methylacetamide?
The InChIKey is AYQGQGSEEJYZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c1-12-8(14)5-13-6-3-2-4-7(9(6)10)17(11,15)16/h2-4,13H,5,10H2,1H3,(H,12,14)(H2,11,15,16).
What are the key properties of 2-(2-amino-3-sulfamoylanilino)-N-methylacetamide?
2-(2-amino-3-sulfamoylanilino)-N-methylacetamide has a molecular weight of 258.30 g/mol, XLogP of -0.93, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-sulfamoylanilino)-N-methylacetamide is sourced from PubChem (CID 112674675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).