2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide

C13H17N3O4S — CID 168522787

IUPAC2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
SMILESCOCCCNS(=O)(=O)c1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C13H17N3O4S/c1-20-10-2-9-15-21(18,19)12-5-3-11(4-6-12)16-13(17)7-8-14/h3-6,15H,2,7,9-10H2,1H3,(H,16,17)
InChIKeyISSLJCDYDFODMJ-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.85
Rot. Bonds8

About 2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide

2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide (PubChem CID 168522787) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
PubChem CID168522787
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
SMILESCOCCCNS(=O)(=O)c1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C13H17N3O4S/c1-20-10-2-9-15-21(18,19)12-5-3-11(4-6-12)16-13(17)7-8-14/h3-6,15H,2,7,9-10H2,1H3,(H,16,17)
InChIKeyISSLJCDYDFODMJ-UHFFFAOYSA-N
XLogP0.85
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]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-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 17070813
2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 17256718
[4-(3-methoxypropylsulfamoyl)phenyl]thiourea
CID 169358592
2-(2-methoxyphenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 3936695
N-[4-(3-methoxypropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
CID 3160786
2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 168522081
3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide
CID 5031253
3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide
CID 3331259
4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 82165049
N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide
CID 120717366
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide (CID 168522787) is 2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide is COCCCNS(=O)(=O)c1ccc(NC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide?
The InChIKey is ISSLJCDYDFODMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-20-10-2-9-15-21(18,19)12-5-3-11(4-6-12)16-13(17)7-8-14/h3-6,15H,2,7,9-10H2,1H3,(H,16,17).
What are the key properties of 2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide?
2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide has a molecular weight of 311.36 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 168522787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).