3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide

C13H20N2O3S — CID 55070556

IUPAC3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCS(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-11-3-5-12(6-4-11)7-8-13(16)15-9-2-10-19(14,17)18/h3-6H,2,7-10H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyNKVIZHUHAGGVSS-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.72
Rot. Bonds7

About 3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide

3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide (PubChem CID 55070556) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide
PubChem CID55070556
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCS(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-11-3-5-12(6-4-11)7-8-13(16)15-9-2-10-19(14,17)18/h3-6H,2,7-10H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyNKVIZHUHAGGVSS-UHFFFAOYSA-N
XLogP0.72
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110310348
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
N-[4-(4-methylphenyl)butyl]-3-methylsulfonylpropanamide
CID 110627922
7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
CID 43359020
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
N-(6-iodohexyl)-3-(4-methylphenyl)propanamide
CID 107848485
N-[4-(4-methylphenyl)butyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 110307738
N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide
CID 55102075
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide
CID 33426034
N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide
CID 63284353
N-(3-azidopropyl)-3-(4-methylphenyl)propanamide
CID 62503312
2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide
CID 62388737

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide (CID 55070556) is 3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide is Cc1ccc(CCC(=O)NCCCS(N)(=O)=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide?
The InChIKey is NKVIZHUHAGGVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-11-3-5-12(6-4-11)7-8-13(16)15-9-2-10-19(14,17)18/h3-6H,2,7-10H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide?
3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide has a molecular weight of 284.38 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide is sourced from PubChem (CID 55070556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).