2-(4-methoxyphenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

C11H12N4O4S2 — CID 71765042

IUPAC2-(4-methoxyphenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nnc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C11H12N4O4S2/c1-19-8-4-2-7(3-5-8)6-9(16)13-10-14-15-11(20-10)21(12,17)18/h2-5H,6H2,1H3,(H2,12,17,18)(H,13,14,16)
InChIKeyDFEXODLDSRVQHQ-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.38
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-methoxyphenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 71765042) has the molecular formula C11H12N4O4S2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID71765042
Molecular FormulaC11H12N4O4S2
Molecular Weight328.38 g/mol
Exact Mass328.03
IUPAC Name2-(4-methoxyphenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nnc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C11H12N4O4S2/c1-19-8-4-2-7(3-5-8)6-9(16)13-10-14-15-11(20-10)21(12,17)18/h2-5H,6H2,1H3,(H2,12,17,18)(H,13,14,16)
InChIKeyDFEXODLDSRVQHQ-UHFFFAOYSA-N
XLogP0.38
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)propanamide
CID 2165971
N-[5-(2-Methoxy-ethylsulfanyl)-[1,3,4]thiadiazol-2-yl]-2-(2-methoxy-phenyl)-acetamide
CID 644551
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)acetamide
CID 7688623
3-fluoro-N-[5-[methyl(p-anisyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 20921615
N-{5-[Benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}-4-methoxybenzamide
CID 22518170
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 2180719
N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 2218556
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 744048
2-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 903215
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 822630
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2701522
2-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 903450

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide (CID 71765042) is 2-(4-methoxyphenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide is COc1ccc(CC(=O)Nc2nnc(S(N)(=O)=O)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is DFEXODLDSRVQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S2/c1-19-8-4-2-7(3-5-8)6-9(16)13-10-14-15-11(20-10)21(12,17)18/h2-5H,6H2,1H3,(H2,12,17,18)(H,13,14,16).
What are the key properties of 2-(4-methoxyphenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-methoxyphenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 328.38 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 71765042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).