3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide

C17H19Cl2N3O3S — CID 24681104

IUPAC3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
SMILESCN(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2N3O3S/c1-22(11-12-2-3-13(18)10-16(12)19)9-8-17(23)21-14-4-6-15(7-5-14)26(20,24)25/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H2,20,24,25)
InChIKeyCKMXBXDKLVDFJO-UHFFFAOYSA-N
MW416.33 g/mol
LogP3.10
Rot. Bonds7

About 3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide

3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 24681104) has the molecular formula C17H19Cl2N3O3S and a molecular weight of 416.33 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
PubChem CID24681104
Molecular FormulaC17H19Cl2N3O3S
Molecular Weight416.33 g/mol
Exact Mass415.05
IUPAC Name3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
SMILESCN(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2N3O3S/c1-22(11-12-2-3-13(18)10-16(12)19)9-8-17(23)21-14-4-6-15(7-5-14)26(20,24)25/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H2,20,24,25)
InChIKeyCKMXBXDKLVDFJO-UHFFFAOYSA-N
XLogP3.10
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)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

(2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 2657912
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(4-sulfamoylphenyl)acetamide
CID 126074495
2-[(2-chlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 9058026
3-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 24589039
3-(3-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 147765273
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 2699365
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 2540668
2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9196861
4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 92851593
2-[4-[[2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100793363

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide (CID 24681104) is 3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide is CN(CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is CKMXBXDKLVDFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O3S/c1-22(11-12-2-3-13(18)10-16(12)19)9-8-17(23)21-14-4-6-15(7-5-14)26(20,24)25/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H2,20,24,25).
What are the key properties of 3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 416.33 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 24681104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).