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

C18H22ClN3O3S — CID 109027647

IUPAC3-(3-chloro-4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCc1ccc(NCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C18H22ClN3O3S/c1-13-2-5-15(12-17(13)19)21-11-9-18(23)22-10-8-14-3-6-16(7-4-14)26(20,24)25/h2-7,12,21H,8-11H2,1H3,(H,22,23)(H2,20,24,25)
InChIKeyFPOPUKDBYWJJPH-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.46
Rot. Bonds8

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

3-(3-chloro-4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 109027647) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 3-(3-chloro-4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID109027647
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name3-(3-chloro-4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCc1ccc(NCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C18H22ClN3O3S/c1-13-2-5-15(12-17(13)19)21-11-9-18(23)22-10-8-14-3-6-16(7-4-14)26(20,24)25/h2-7,12,21H,8-11H2,1H3,(H,22,23)(H2,20,24,25)
InChIKeyFPOPUKDBYWJJPH-UHFFFAOYSA-N
XLogP2.46
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(3-chloro-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-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027623
3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027627
N-(3-chloro-4-methylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002575
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 27538895
1-(4-chloro-3-fluorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51116721
2-(3,4-dichlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4784267
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 18074478
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2683015

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(3-chloro-4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 109027647) is 3-(3-chloro-4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is Cc1ccc(NCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is FPOPUKDBYWJJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-13-2-5-15(12-17(13)19)21-11-9-18(23)22-10-8-14-3-6-16(7-4-14)26(20,24)25/h2-7,12,21H,8-11H2,1H3,(H,22,23)(H2,20,24,25).
What are the key properties of 3-(3-chloro-4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-(3-chloro-4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 395.91 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 109027647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).