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

C19H25N3O5S — CID 24589039

IUPAC3-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
SMILESCOc1cccc(CN(C)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1OC
InChIInChI=1S/C19H25N3O5S/c1-22(13-14-5-4-6-17(26-2)19(14)27-3)12-11-18(23)21-15-7-9-16(10-8-15)28(20,24)25/h4-10H,11-13H2,1-3H3,(H,21,23)(H2,20,24,25)
InChIKeyDHNFIDMQJUMWEP-UHFFFAOYSA-N
MW407.49 g/mol
LogP1.81
Rot. Bonds9

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

3-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 24589039) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is 3-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
PubChem CID24589039
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name3-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
SMILESCOc1cccc(CN(C)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1OC
InChIInChI=1S/C19H25N3O5S/c1-22(13-14-5-4-6-17(26-2)19(14)27-3)12-11-18(23)21-15-7-9-16(10-8-15)28(20,24)25/h4-10H,11-13H2,1-3H3,(H,21,23)(H2,20,24,25)
InChIKeyDHNFIDMQJUMWEP-UHFFFAOYSA-N
XLogP1.81
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(2,3-dimethoxyphenyl)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

3-(2-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 24640601
3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 24681104
3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 22108283
3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
CID 55362952
2,6-dimethoxy-N-(4-sulfamoylphenyl)benzamide
CID 954656
2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide
CID 4843806
2-[(2-chlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 9058026
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949
3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide
CID 9020974
1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 108867832
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide
CID 9072555

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide (CID 24589039) is 3-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide is COc1cccc(CN(C)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1OC.
What is the InChIKey of 3-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is DHNFIDMQJUMWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-22(13-14-5-4-6-17(26-2)19(14)27-3)12-11-18(23)21-15-7-9-16(10-8-15)28(20,24)25/h4-10H,11-13H2,1-3H3,(H,21,23)(H2,20,24,25).
What are the key properties of 3-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
3-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 407.49 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 24589039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).