2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide

C11H18N4O3S — CID 43545447

IUPAC2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide
SMILESCC(Nc1ccc(S(=O)(=O)N(C)C)cc1N)C(N)=O
InChIInChI=1S/C11H18N4O3S/c1-7(11(13)16)14-10-5-4-8(6-9(10)12)19(17,18)15(2)3/h4-7,14H,12H2,1-3H3,(H2,13,16)
InChIKeyNUWCHXUIIXLEFA-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.20
Rot. Bonds5

About 2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide

2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide (PubChem CID 43545447) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide.

Molecular Properties

Compound Name2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide
PubChem CID43545447
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide
SMILESCC(Nc1ccc(S(=O)(=O)N(C)C)cc1N)C(N)=O
InChIInChI=1S/C11H18N4O3S/c1-7(11(13)16)14-10-5-4-8(6-9(10)12)19(17,18)15(2)3/h4-7,14H,12H2,1-3H3,(H2,13,16)
InChIKeyNUWCHXUIIXLEFA-UHFFFAOYSA-N
XLogP-0.20
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.20
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

3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide
CID 43534380
2-(2-amino-4-fluoroanilino)propanamide
CID 43545455
3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide
CID 106275246
2-[2-amino-3-(dimethylsulfamoyl)anilino]propanamide
CID 107115830
3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide
CID 62483234
5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid
CID 60702313
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 115358157
3-amino-N,N-dimethyl-4-(2-methylanilino)benzenesulfonamide
CID 43341118
2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide
CID 61476320
methyl 2-(2-amino-4-methylanilino)propanoate
CID 61499476
2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide
CID 106345924
3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
CID 62360493

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide?
The IUPAC name of 2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide (CID 43545447) is 2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide.
What is the SMILES notation for 2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide?
The canonical SMILES for 2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide is CC(Nc1ccc(S(=O)(=O)N(C)C)cc1N)C(N)=O.
What is the InChIKey of 2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide?
The InChIKey is NUWCHXUIIXLEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-7(11(13)16)14-10-5-4-8(6-9(10)12)19(17,18)15(2)3/h4-7,14H,12H2,1-3H3,(H2,13,16).
What are the key properties of 2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide?
2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide has a molecular weight of 286.36 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide is sourced from PubChem (CID 43545447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).