N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide

C19H20N4O5S2 — CID 22518135

IUPACN-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
SMILESCCN(c1ccc(OC)cc1)S(=O)(=O)c1nnc(NC(=O)COc2ccccc2)s1
InChIInChI=1S/C19H20N4O5S2/c1-3-23(14-9-11-15(27-2)12-10-14)30(25,26)19-22-21-18(29-19)20-17(24)13-28-16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,20,21,24)
InChIKeyHWXAREXAEAWBRZ-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.78
Rot. Bonds9

About N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide

N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide (PubChem CID 22518135) has the molecular formula C19H20N4O5S2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
PubChem CID22518135
Molecular FormulaC19H20N4O5S2
Molecular Weight448.53 g/mol
Exact Mass448.09
IUPAC NameN-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide
SMILESCCN(c1ccc(OC)cc1)S(=O)(=O)c1nnc(NC(=O)COc2ccccc2)s1
InChIInChI=1S/C19H20N4O5S2/c1-3-23(14-9-11-15(27-2)12-10-14)30(25,26)19-22-21-18(29-19)20-17(24)13-28-16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,20,21,24)
InChIKeyHWXAREXAEAWBRZ-UHFFFAOYSA-N
XLogP2.78
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide (CID 22518135) is N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide is CCN(c1ccc(OC)cc1)S(=O)(=O)c1nnc(NC(=O)COc2ccccc2)s1.
What is the InChIKey of N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide?
The InChIKey is HWXAREXAEAWBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S2/c1-3-23(14-9-11-15(27-2)12-10-14)30(25,26)19-22-21-18(29-19)20-17(24)13-28-16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,20,21,24).
What are the key properties of N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide?
N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide has a molecular weight of 448.53 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 22518135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).