2-(2-chlorophenoxy)-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C17H15ClN4O4S2 — CID 22518013

IUPAC2-(2-chlorophenoxy)-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)COc2ccccc2Cl)s1
InChIInChI=1S/C17H15ClN4O4S2/c1-22(12-7-3-2-4-8-12)28(24,25)17-21-20-16(27-17)19-15(23)11-26-14-10-6-5-9-13(14)18/h2-10H,11H2,1H3,(H,19,20,23)
InChIKeyFWEIUPZUKHCHFV-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.03
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

2-(2-chlorophenoxy)-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 22518013) has the molecular formula C17H15ClN4O4S2 and a molecular weight of 438.92 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID22518013
Molecular FormulaC17H15ClN4O4S2
Molecular Weight438.92 g/mol
Exact Mass438.02
IUPAC Name2-(2-chlorophenoxy)-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)COc2ccccc2Cl)s1
InChIInChI=1S/C17H15ClN4O4S2/c1-22(12-7-3-2-4-8-12)28(24,25)17-21-20-16(27-17)19-15(23)11-26-14-10-6-5-9-13(14)18/h2-10H,11H2,1H3,(H,19,20,23)
InChIKeyFWEIUPZUKHCHFV-UHFFFAOYSA-N
XLogP3.03
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.03
H-Bond Donors ≤ 51
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-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 22518007
2-(4-fluorophenoxy)-N-[5-[methyl-(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 22518072
N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 22518004
4-methyl-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 22517994
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-chlorophenoxy)acetamide
CID 19178556
2-(2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 707255
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100708318
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 17100966
N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 22517578
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
2-(2-ethoxyphenoxy)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide
CID 55979406

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 22518013) is 2-(2-chlorophenoxy)-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)COc2ccccc2Cl)s1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is FWEIUPZUKHCHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O4S2/c1-22(12-7-3-2-4-8-12)28(24,25)17-21-20-16(27-17)19-15(23)11-26-14-10-6-5-9-13(14)18/h2-10H,11H2,1H3,(H,19,20,23).
What are the key properties of 2-(2-chlorophenoxy)-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-(2-chlorophenoxy)-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 438.92 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 22518013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).