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

C13H22N4O3S — CID 79900685

IUPAC3-(5-amino-2-methyl-3-sulfamoylanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCNc1cc(N)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H22N4O3S/c1-3-5-17-13(18)4-6-16-11-7-10(14)8-12(9(11)2)21(15,19)20/h7-8,16H,3-6,14H2,1-2H3,(H,17,18)(H2,15,19,20)
InChIKeyYGVUXJASPYTOHI-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.55
Rot. Bonds7

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

3-(5-amino-2-methyl-3-sulfamoylanilino)-N-propylpropanamide (PubChem CID 79900685) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-(5-amino-2-methyl-3-sulfamoylanilino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(5-amino-2-methyl-3-sulfamoylanilino)-N-propylpropanamide
PubChem CID79900685
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name3-(5-amino-2-methyl-3-sulfamoylanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCNc1cc(N)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H22N4O3S/c1-3-5-17-13(18)4-6-16-11-7-10(14)8-12(9(11)2)21(15,19)20/h7-8,16H,3-6,14H2,1-2H3,(H,17,18)(H2,15,19,20)
InChIKeyYGVUXJASPYTOHI-UHFFFAOYSA-N
XLogP0.55
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.55
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-methylpropanamide
CID 79896218
5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide
CID 79896211
5-amino-3-(3-ethoxypropylamino)-2-methylbenzenesulfonamide
CID 79897340
5-amino-3-(2,2-dimethylbutylamino)-2-methylbenzenesulfonamide
CID 103460220
5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide
CID 79896730
5-amino-3-(2-hydroxypropylamino)-2-methylbenzenesulfonamide
CID 79896644
3-(2-bromo-4-methylanilino)-N-propylpropanamide
CID 109011445
5-amino-3-[(3-ethyl-2-hydroxypentyl)amino]-2-methylbenzenesulfonamide
CID 106284357
5-amino-2-methyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 106328139
5-amino-3-(2-but-3-enoxyethylamino)-2-methylbenzenesulfonamide
CID 106394421
3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide
CID 103000936
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819032

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-methyl-3-sulfamoylanilino)-N-propylpropanamide?
The IUPAC name of 3-(5-amino-2-methyl-3-sulfamoylanilino)-N-propylpropanamide (CID 79900685) is 3-(5-amino-2-methyl-3-sulfamoylanilino)-N-propylpropanamide.
What is the SMILES notation for 3-(5-amino-2-methyl-3-sulfamoylanilino)-N-propylpropanamide?
The canonical SMILES for 3-(5-amino-2-methyl-3-sulfamoylanilino)-N-propylpropanamide is CCCNC(=O)CCNc1cc(N)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 3-(5-amino-2-methyl-3-sulfamoylanilino)-N-propylpropanamide?
The InChIKey is YGVUXJASPYTOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-3-5-17-13(18)4-6-16-11-7-10(14)8-12(9(11)2)21(15,19)20/h7-8,16H,3-6,14H2,1-2H3,(H,17,18)(H2,15,19,20).
What are the key properties of 3-(5-amino-2-methyl-3-sulfamoylanilino)-N-propylpropanamide?
3-(5-amino-2-methyl-3-sulfamoylanilino)-N-propylpropanamide has a molecular weight of 314.41 g/mol, XLogP of 0.55, 7 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-propylpropanamide is sourced from PubChem (CID 79900685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).