2-(4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide

C16H19N3O3S — CID 164613915

IUPAC2-(4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCc1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12-2-6-14(7-3-12)18-11-16(20)19-10-13-4-8-15(9-5-13)23(17,21)22/h2-9,18H,10-11H2,1H3,(H,19,20)(H2,17,21,22)
InChIKeyXTYXCGMXPNCPGR-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.37
Rot. Bonds6

About 2-(4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide

2-(4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 164613915) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID164613915
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-(4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCc1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12-2-6-14(7-3-12)18-11-16(20)19-10-13-4-8-15(9-5-13)23(17,21)22/h2-9,18H,10-11H2,1H3,(H,19,20)(H2,17,21,22)
InChIKeyXTYXCGMXPNCPGR-UHFFFAOYSA-N
XLogP1.37
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylanilino)-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-(4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 164613915) is 2-(4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide is Cc1ccc(NCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-(4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is XTYXCGMXPNCPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-2-6-14(7-3-12)18-11-16(20)19-10-13-4-8-15(9-5-13)23(17,21)22/h2-9,18H,10-11H2,1H3,(H,19,20)(H2,17,21,22).
What are the key properties of 2-(4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 333.41 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 164613915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).