2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide

C13H22N4O3S — CID 103286872

IUPAC2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc(N)cc1S(=O)(=O)NC
InChIInChI=1S/C13H22N4O3S/c1-4-7-16-13(18)9(2)17-11-6-5-10(14)8-12(11)21(19,20)15-3/h5-6,8-9,15,17H,4,7,14H2,1-3H3,(H,16,18)
InChIKeyKESYNMVOVSTJSZ-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.50
Rot. Bonds7

About 2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide

2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide (PubChem CID 103286872) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide
PubChem CID103286872
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc(N)cc1S(=O)(=O)NC
InChIInChI=1S/C13H22N4O3S/c1-4-7-16-13(18)9(2)17-11-6-5-10(14)8-12(11)21(19,20)15-3/h5-6,8-9,15,17H,4,7,14H2,1-3H3,(H,16,18)
InChIKeyKESYNMVOVSTJSZ-UHFFFAOYSA-N
XLogP0.50
TPSA113.32 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 ≤ 50.50
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

5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 61478582
ethyl 5-amino-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzoate
CID 61479176
5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide
CID 103286871
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
5-amino-2-(1-methoxypentan-2-ylamino)-N-methylbenzenesulfonamide
CID 103287104
3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 82988580
5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide
CID 103286859
5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide
CID 103287457
5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide
CID 106290279
5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 103287459
5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide
CID 103286878
5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 103286857

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide?
The IUPAC name of 2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide (CID 103286872) is 2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide.
What is the SMILES notation for 2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide?
The canonical SMILES for 2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1ccc(N)cc1S(=O)(=O)NC.
What is the InChIKey of 2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide?
The InChIKey is KESYNMVOVSTJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-4-7-16-13(18)9(2)17-11-6-5-10(14)8-12(11)21(19,20)15-3/h5-6,8-9,15,17H,4,7,14H2,1-3H3,(H,16,18).
What are the key properties of 2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide?
2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide has a molecular weight of 314.41 g/mol, XLogP of 0.50, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide is sourced from PubChem (CID 103286872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).