2-(3,4-dimethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide

C17H21N3O3S — CID 164621856

IUPAC2-(3,4-dimethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCc1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C17H21N3O3S/c1-12-3-6-15(9-13(12)2)19-11-17(21)20-10-14-4-7-16(8-5-14)24(18,22)23/h3-9,19H,10-11H2,1-2H3,(H,20,21)(H2,18,22,23)
InChIKeyRUHIKRYHSAQXPW-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.68
Rot. Bonds6

About 2-(3,4-dimethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide

2-(3,4-dimethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 164621856) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID164621856
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-(3,4-dimethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCc1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C17H21N3O3S/c1-12-3-6-15(9-13(12)2)19-11-17(21)20-10-14-4-7-16(8-5-14)24(18,22)23/h3-9,19H,10-11H2,1-2H3,(H,20,21)(H2,18,22,23)
InChIKeyRUHIKRYHSAQXPW-UHFFFAOYSA-N
XLogP1.68
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dimethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 164621856) is 2-(3,4-dimethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide is Cc1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is RUHIKRYHSAQXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-3-6-15(9-13(12)2)19-11-17(21)20-10-14-4-7-16(8-5-14)24(18,22)23/h3-9,19H,10-11H2,1-2H3,(H,20,21)(H2,18,22,23).
What are the key properties of 2-(3,4-dimethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(3,4-dimethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 164621856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).