3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

C18H22N2O3S — CID 51276671

IUPAC3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCc1cccc(CCC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H22N2O3S/c1-13-4-3-5-15(12-13)6-11-18(21)20-14(2)16-7-9-17(10-8-16)24(19,22)23/h3-5,7-10,12,14H,6,11H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyCVPSISFCOZLKEE-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.45
Rot. Bonds6

About 3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 51276671) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID51276671
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCc1cccc(CCC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H22N2O3S/c1-13-4-3-5-15(12-13)6-11-18(21)20-14(2)16-7-9-17(10-8-16)24(19,22)23/h3-5,7-10,12,14H,6,11H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyCVPSISFCOZLKEE-UHFFFAOYSA-N
XLogP2.45
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-methylphenyl)-N-[1-(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

N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 60700309
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate
CID 8846555
3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 18160079
4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 41023431
3-(3-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 115341627
N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide
CID 50957640
3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 115341637
N-(1-naphthalen-1-ylethyl)-3-(4-sulfamoylphenyl)propanamide
CID 24636391
3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4794791
3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43005594
2-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146608

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (CID 51276671) is 3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is Cc1cccc(CCC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is CVPSISFCOZLKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-4-3-5-15(12-13)6-11-18(21)20-14(2)16-7-9-17(10-8-16)24(19,22)23/h3-5,7-10,12,14H,6,11H2,1-2H3,(H,20,21)(H2,19,22,23).
What are the key properties of 3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 346.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 51276671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).