N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide

C15H20N4O5S2 — CID 22517578

IUPACN-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1nnc(NC(=O)COc2ccc(OC)cc2)s1
InChIInChI=1S/C15H20N4O5S2/c1-4-19(5-2)26(21,22)15-18-17-14(25-15)16-13(20)10-24-12-8-6-11(23-3)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,16,17,20)
InChIKeyYLRAIHVHGVFEJM-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.59
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide

N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 22517578) has the molecular formula C15H20N4O5S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
PubChem CID22517578
Molecular FormulaC15H20N4O5S2
Molecular Weight400.48 g/mol
Exact Mass400.09
IUPAC NameN-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCCN(CC)S(=O)(=O)c1nnc(NC(=O)COc2ccc(OC)cc2)s1
InChIInChI=1S/C15H20N4O5S2/c1-4-19(5-2)26(21,22)15-18-17-14(25-15)16-13(20)10-24-12-8-6-11(23-3)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,16,17,20)
InChIKeyYLRAIHVHGVFEJM-UHFFFAOYSA-N
XLogP1.59
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.59
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'}

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Related Compounds

N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 22517567
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 733423
phenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 70529698
2-(4-methoxyphenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1394635
2-(4-fluorophenoxy)-N-[5-[methyl-(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 22518072
N-[5-[ethyl-(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 22518133
2-(3,4-dimethylphenoxy)-N-[5-[furan-2-ylmethyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 22518203
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813938
2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1398449
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-propoxyphenoxy)acetamide
CID 32624003
2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide
CID 90601713
N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-[4-[2-[[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]phenoxy]acetamide
CID 11734868

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide (CID 22517578) is N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide is CCN(CC)S(=O)(=O)c1nnc(NC(=O)COc2ccc(OC)cc2)s1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is YLRAIHVHGVFEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5S2/c1-4-19(5-2)26(21,22)15-18-17-14(25-15)16-13(20)10-24-12-8-6-11(23-3)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,16,17,20).
What are the key properties of N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide?
N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 400.48 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 22517578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).