N-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]acetamide

C13H15N3O4S2 — CID 3135542

IUPACN-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)CCc2nnc(NC(C)=O)s2)cc1
InChIInChI=1S/C13H15N3O4S2/c1-9(17)14-13-16-15-12(21-13)7-8-22(18,19)11-5-3-10(20-2)4-6-11/h3-6H,7-8H2,1-2H3,(H,14,16,17)
InChIKeyWKIRUBQLESRZJU-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.52
Rot. Bonds6

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

N-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 3135542) has the molecular formula C13H15N3O4S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID3135542
Molecular FormulaC13H15N3O4S2
Molecular Weight341.41 g/mol
Exact Mass341.05
IUPAC NameN-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)CCc2nnc(NC(C)=O)s2)cc1
InChIInChI=1S/C13H15N3O4S2/c1-9(17)14-13-16-15-12(21-13)7-8-22(18,19)11-5-3-10(20-2)4-6-11/h3-6H,7-8H2,1-2H3,(H,14,16,17)
InChIKeyWKIRUBQLESRZJU-UHFFFAOYSA-N
XLogP1.52
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 1094170
2-(benzylsulfonyl)-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1214420
2-[(4-methoxyphenyl)sulfonyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1484125
3-[(4-ethoxyphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 4801987
2-[(4-methoxyphenyl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1484116
3-[(4-methoxyphenyl)sulfonylamino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 17192710
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 71899531
2-(4-ethoxyphenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 134034571
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
CID 856748
5-{2-[(4-Methoxyphenyl)sulfonyl]ethyl}-1,3,4-thiadiazol-2-amine
CID 4523404
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 126479934
2-(benzenesulfonyl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 3884040

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 3135542) is N-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]acetamide is COc1ccc(S(=O)(=O)CCc2nnc(NC(C)=O)s2)cc1.
What is the InChIKey of N-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is WKIRUBQLESRZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S2/c1-9(17)14-13-16-15-12(21-13)7-8-22(18,19)11-5-3-10(20-2)4-6-11/h3-6H,7-8H2,1-2H3,(H,14,16,17).
What are the key properties of N-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 341.41 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 3135542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).