2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide

C14H23N3O3S — CID 106277705

IUPAC2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide
SMILESCCCNS(=O)(=O)c1ccccc1NCC(C)(C)C(N)=O
InChIInChI=1S/C14H23N3O3S/c1-4-9-17-21(19,20)12-8-6-5-7-11(12)16-10-14(2,3)13(15)18/h5-8,16-17H,4,9-10H2,1-3H3,(H2,15,18)
InChIKeyXEDVTXUKIRPVSZ-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.30
Rot. Bonds8

About 2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide

2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide (PubChem CID 106277705) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide
PubChem CID106277705
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide
SMILESCCCNS(=O)(=O)c1ccccc1NCC(C)(C)C(N)=O
InChIInChI=1S/C14H23N3O3S/c1-4-9-17-21(19,20)12-8-6-5-7-11(12)16-10-14(2,3)13(15)18/h5-8,16-17H,4,9-10H2,1-3H3,(H2,15,18)
InChIKeyXEDVTXUKIRPVSZ-UHFFFAOYSA-N
XLogP1.30
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide
CID 65110251
2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106277873
2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide
CID 106245938
2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide
CID 115310851
3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid
CID 81083785
2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606
2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide
CID 106308340
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide
CID 106186569
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
N-butyl-2-hydrazinylbenzenesulfonamide
CID 43454845
2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
CID 63295525
2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide
CID 62359065

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide (CID 106277705) is 2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide is CCCNS(=O)(=O)c1ccccc1NCC(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide?
The InChIKey is XEDVTXUKIRPVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-9-17-21(19,20)12-8-6-5-7-11(12)16-10-14(2,3)13(15)18/h5-8,16-17H,4,9-10H2,1-3H3,(H2,15,18).
What are the key properties of 2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide?
2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide has a molecular weight of 313.42 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide is sourced from PubChem (CID 106277705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).