3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide

C11H18N4O3S — CID 79896218

IUPAC3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide
SMILESCNC(=O)CCNc1cc(N)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C11H18N4O3S/c1-7-9(15-4-3-11(16)14-2)5-8(12)6-10(7)19(13,17)18/h5-6,15H,3-4,12H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyIDIKLRMOLYAUJN-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.23
Rot. Bonds5

About 3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide

3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide (PubChem CID 79896218) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide
PubChem CID79896218
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide
SMILESCNC(=O)CCNc1cc(N)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C11H18N4O3S/c1-7-9(15-4-3-11(16)14-2)5-8(12)6-10(7)19(13,17)18/h5-6,15H,3-4,12H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyIDIKLRMOLYAUJN-UHFFFAOYSA-N
XLogP-0.23
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.23
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

3-(5-amino-2-methyl-3-sulfamoylanilino)-N-propylpropanamide
CID 79900685
5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide
CID 79896211
5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide
CID 79896730
5-amino-3-(2-hydroxypropylamino)-2-methylbenzenesulfonamide
CID 79896644
5-amino-3-(3-ethoxypropylamino)-2-methylbenzenesulfonamide
CID 79897340
5-amino-3-(2,2-dimethylbutylamino)-2-methylbenzenesulfonamide
CID 103460220
5-amino-3-[(3-ethyl-2-hydroxypentyl)amino]-2-methylbenzenesulfonamide
CID 106284357
5-amino-3-(2-but-3-enoxyethylamino)-2-methylbenzenesulfonamide
CID 106394421
3-(4-amino-2-iodoanilino)-N-methylpropanamide
CID 66092939
3-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913987
5-amino-3-[(3-hydroxycyclobutyl)methylamino]-2-methylbenzenesulfonamide
CID 79904586
5-amino-3-hydroxy-2-methylbenzenesulfonamide
CID 79904666

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide?
The IUPAC name of 3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide (CID 79896218) is 3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide.
What is the SMILES notation for 3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide?
The canonical SMILES for 3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide is CNC(=O)CCNc1cc(N)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide?
The InChIKey is IDIKLRMOLYAUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-7-9(15-4-3-11(16)14-2)5-8(12)6-10(7)19(13,17)18/h5-6,15H,3-4,12H2,1-2H3,(H,14,16)(H2,13,17,18).
What are the key properties of 3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide?
3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide has a molecular weight of 286.36 g/mol, XLogP of -0.23, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-methyl-3-sulfamoylanilino)-N-methylpropanamide is sourced from PubChem (CID 79896218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).