3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C18H23N3O3S — CID 109027623

IUPAC3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCc1ccc(NCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-14-2-6-16(7-3-14)20-13-11-18(22)21-12-10-15-4-8-17(9-5-15)25(19,23)24/h2-9,20H,10-13H2,1H3,(H,21,22)(H2,19,23,24)
InChIKeyZCNCACRAHBKBLD-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.80
Rot. Bonds8

About 3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 109027623) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID109027623
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCc1ccc(NCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-14-2-6-16(7-3-14)20-13-11-18(22)21-12-10-15-4-8-17(9-5-15)25(19,23)24/h2-9,20H,10-13H2,1H3,(H,21,22)(H2,19,23,24)
InChIKeyZCNCACRAHBKBLD-UHFFFAOYSA-N
XLogP1.80
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]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-(3-chloro-4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027647
3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027627
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109019770
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108874657
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide
CID 33426034
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24537163
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 40778059
2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24632921
1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 113198226

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 109027623) is 3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is Cc1ccc(NCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is ZCNCACRAHBKBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14-2-6-16(7-3-14)20-13-11-18(22)21-12-10-15-4-8-17(9-5-15)25(19,23)24/h2-9,20H,10-13H2,1H3,(H,21,22)(H2,19,23,24).
What are the key properties of 3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 361.47 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 109027623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).