3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide

C13H21N3O3S — CID 60926501

IUPAC3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H21N3O3S/c1-15(2)13(17)9-10-14-11-5-7-12(8-6-11)20(18,19)16(3)4/h5-8,14H,9-10H2,1-4H3
InChIKeyQUZGVPIREQDOGO-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.83
Rot. Bonds6

About 3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide

3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide (PubChem CID 60926501) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
PubChem CID60926501
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H21N3O3S/c1-15(2)13(17)9-10-14-11-5-7-12(8-6-11)20(18,19)16(3)4/h5-8,14H,9-10H2,1-4H3
InChIKeyQUZGVPIREQDOGO-UHFFFAOYSA-N
XLogP0.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 43387793
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
4-[4-(dimethylsulfamoyl)anilino]butanamide
CID 60863966
6-[4-(dimethylsulfamoyl)anilino]hexanoic acid
CID 43453874
3-[4-(cyclopropylsulfamoyl)anilino]-N,N-dimethylpropanamide
CID 60926612
3-(4-acetamidoanilino)-N,N-dimethylpropanamide
CID 54879243
3-(4-tert-butylanilino)-N,N-dimethylpropanamide
CID 54879290
3-(4-chloroanilino)-N,N-dimethylpropanamide
CID 60960793
3-anilino-N,N-dimethylpropanamide
CID 60961994
3-(4-acetylanilino)-N,N-dimethylpropanamide
CID 114468155
4-[[3-(dimethylamino)-3-oxopropyl]amino]benzoic acid
CID 62230699
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide (CID 60926501) is 3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide?
The InChIKey is QUZGVPIREQDOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-15(2)13(17)9-10-14-11-5-7-12(8-6-11)20(18,19)16(3)4/h5-8,14H,9-10H2,1-4H3.
What are the key properties of 3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide?
3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide has a molecular weight of 299.40 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylpropanamide is sourced from PubChem (CID 60926501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).