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

C12H14N4O4S2 — CID 655746

IUPACN-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide
SMILESCOCc1nnc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)s1
InChIInChI=1S/C12H14N4O4S2/c1-8(17)13-9-3-5-10(6-4-9)22(18,19)16-12-15-14-11(21-12)7-20-2/h3-6H,7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyFBALRKHTBFVWCA-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.44
Rot. Bonds6

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

N-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 655746) has the molecular formula C12H14N4O4S2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID655746
Molecular FormulaC12H14N4O4S2
Molecular Weight342.40 g/mol
Exact Mass342.05
IUPAC NameN-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide
SMILESCOCc1nnc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)s1
InChIInChI=1S/C12H14N4O4S2/c1-8(17)13-9-3-5-10(6-4-9)22(18,19)16-12-15-14-11(21-12)7-20-2/h3-6H,7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyFBALRKHTBFVWCA-UHFFFAOYSA-N
XLogP1.44
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide 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-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide (CID 655746) is N-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide is COCc1nnc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)s1.
What is the InChIKey of N-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is FBALRKHTBFVWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S2/c1-8(17)13-9-3-5-10(6-4-9)22(18,19)16-12-15-14-11(21-12)7-20-2/h3-6H,7H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of N-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 655746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).