2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide

C14H18N4O4S — CID 100814421

IUPAC2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)NCCCn2cccn2)cc1
InChIInChI=1S/C14H18N4O4S/c15-14(19)11-22-12-3-5-13(6-4-12)23(20,21)17-8-2-10-18-9-1-7-16-18/h1,3-7,9,17H,2,8,10-11H2,(H2,15,19)
InChIKeyBECUXCLGNBFRKI-UHFFFAOYSA-N
MW338.39 g/mol
LogP0.12
Rot. Bonds9

About 2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide

2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide (PubChem CID 100814421) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide
PubChem CID100814421
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(S(=O)(=O)NCCCn2cccn2)cc1
InChIInChI=1S/C14H18N4O4S/c15-14(19)11-22-12-3-5-13(6-4-12)23(20,21)17-8-2-10-18-9-1-7-16-18/h1,3-7,9,17H,2,8,10-11H2,(H2,15,19)
InChIKeyBECUXCLGNBFRKI-UHFFFAOYSA-N
XLogP0.12
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]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-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide
CID 115592036
4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 22207459
6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide
CID 115602579
2-[4-[2-(benzenesulfonamido)ethyl]phenoxy]acetamide
CID 19388075
2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 47025675
2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide
CID 91650250
4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61461366
3-amino-4-hydroxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459596
5-(aminomethyl)-1-methyl-N-(3-pyrazol-1-ylpropyl)pyrrole-3-sulfonamide
CID 106077067
6-cyano-N-(2-pyrazol-1-ylethyl)pyridine-3-sulfonamide
CID 114613817
2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 100814427
methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate
CID 126134738

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide?
The IUPAC name of 2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide (CID 100814421) is 2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for 2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide is NC(=O)COc1ccc(S(=O)(=O)NCCCn2cccn2)cc1.
What is the InChIKey of 2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide?
The InChIKey is BECUXCLGNBFRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c15-14(19)11-22-12-3-5-13(6-4-12)23(20,21)17-8-2-10-18-9-1-7-16-18/h1,3-7,9,17H,2,8,10-11H2,(H2,15,19).
What are the key properties of 2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide?
2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide has a molecular weight of 338.39 g/mol, XLogP of 0.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 100814421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).