3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide

C19H23N3O3S — CID 2692226

IUPAC3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide
SMILESC=C(CC)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C19H23N3O3S/c1-5-15(4)20-21-19(23)16-7-6-8-17(12-16)26(24,25)22-18-10-9-13(2)11-14(18)3/h6-12,20,22H,4-5H2,1-3H3,(H,21,23)
InChIKeyLPZDOOTWYXVZDL-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.26
Rot. Bonds7

About 3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide

3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide (PubChem CID 2692226) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide
PubChem CID2692226
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide
SMILESC=C(CC)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C19H23N3O3S/c1-5-15(4)20-21-19(23)16-7-6-8-17(12-16)26(24,25)22-18-10-9-13(2)11-14(18)3/h6-12,20,22H,4-5H2,1-3H3,(H,21,23)
InChIKeyLPZDOOTWYXVZDL-UHFFFAOYSA-N
XLogP3.26
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide 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

3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
N-(2,4-dimethylphenyl)-3-[[[(E)-1,3-diphenylprop-1-en-2-yl]amino]carbamoyl]benzenesulfonamide
CID 2329811
N-(2,4-dimethylphenyl)-3-[[(4-fluoro-2-methylphenyl)sulfonylamino]carbamoyl]benzenesulfonamide
CID 30666490
N-(2,4-dimethylphenyl)-3-[[(9,10,10-trioxothioxanthene-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 2381880
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 109065763
N-(2,4-dimethylphenyl)-3-(ethylsulfamoyl)benzamide
CID 26538648
N-(2,4-dimethylphenyl)-3-[[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]carbamoyl]benzenesulfonamide
CID 2392822
N-(2-bromo-4-methylphenyl)-3-propanoylbenzenesulfonamide
CID 112838604
N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109062590
N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 55348082

Frequently Asked Questions

What is the IUPAC name of 3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide (CID 2692226) is 3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide is C=C(CC)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of 3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide?
The InChIKey is LPZDOOTWYXVZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-5-15(4)20-21-19(23)16-7-6-8-17(12-16)26(24,25)22-18-10-9-13(2)11-14(18)3/h6-12,20,22H,4-5H2,1-3H3,(H,21,23).
What are the key properties of 3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide?
3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 2692226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).