2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide

C12H18N2O3S — CID 62388737

IUPAC2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide
SMILESCc1cccc(CC(=O)NCCCS(N)(=O)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-10-4-2-5-11(8-10)9-12(15)14-6-3-7-18(13,16)17/h2,4-5,8H,3,6-7,9H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyGZFFSRQFBMGCAQ-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.33
Rot. Bonds6

About 2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide

2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide (PubChem CID 62388737) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide
PubChem CID62388737
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide
SMILESCc1cccc(CC(=O)NCCCS(N)(=O)=O)c1
InChIInChI=1S/C12H18N2O3S/c1-10-4-2-5-11(8-10)9-12(15)14-6-3-7-18(13,16)17/h2,4-5,8H,3,6-7,9H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyGZFFSRQFBMGCAQ-UHFFFAOYSA-N
XLogP0.33
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide 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

2-(3-chlorophenyl)-N-(3-sulfamoylpropyl)acetamide
CID 62505682
1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61132641
N-(6-bromohexyl)-2-(3-methylphenyl)acetamide
CID 107847492
2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide
CID 62500011
2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide
CID 55084090
N-[3-(diethylamino)propyl]-2-(3-methylphenyl)acetamide
CID 127120142
N-(5-hydroxy-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 113340866
3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide
CID 55070556
N-(5-bromo-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 106157270
N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 114151356
N-[2-(4-ethylsulfonylphenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 110790716
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066412

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide (CID 62388737) is 2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide is Cc1cccc(CC(=O)NCCCS(N)(=O)=O)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide?
The InChIKey is GZFFSRQFBMGCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-10-4-2-5-11(8-10)9-12(15)14-6-3-7-18(13,16)17/h2,4-5,8H,3,6-7,9H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide?
2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide has a molecular weight of 270.35 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide is sourced from PubChem (CID 62388737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).