2-(2-ethoxyphenoxy)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide

C13H16N4O5S2 — CID 55979406

IUPAC2-(2-ethoxyphenoxy)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C13H16N4O5S2/c1-3-21-9-6-4-5-7-10(9)22-8-11(18)14-12-15-16-13(23-12)17-24(2,19)20/h4-7H,3,8H2,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyMNFIDAMAVHUBNJ-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.33
Rot. Bonds8

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

2-(2-ethoxyphenoxy)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 55979406) has the molecular formula C13H16N4O5S2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID55979406
Molecular FormulaC13H16N4O5S2
Molecular Weight372.43 g/mol
Exact Mass372.06
IUPAC Name2-(2-ethoxyphenoxy)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C13H16N4O5S2/c1-3-21-9-6-4-5-7-10(9)22-8-11(18)14-12-15-16-13(23-12)17-24(2,19)20/h4-7H,3,8H2,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyMNFIDAMAVHUBNJ-UHFFFAOYSA-N
XLogP1.33
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-ethoxyphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 16644162
2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5202520
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(2-propoxyphenoxy)acetamide
CID 18093750
2-(2-propan-2-ylphenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19178841
2-(2-ethoxyphenoxy)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 9094333
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19217365
2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1398449
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 82176363
2-(2-ethoxyphenoxy)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide
CID 55711360
2-(2-propan-2-ylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19178842
2-(2-ethoxyphenoxy)-N-pyridin-4-ylacetamide
CID 78802593
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide (CID 55979406) is 2-(2-ethoxyphenoxy)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide is CCOc1ccccc1OCC(=O)Nc1nnc(NS(C)(=O)=O)s1.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is MNFIDAMAVHUBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O5S2/c1-3-21-9-6-4-5-7-10(9)22-8-11(18)14-12-15-16-13(23-12)17-24(2,19)20/h4-7H,3,8H2,1-2H3,(H,16,17)(H,14,15,18).
What are the key properties of 2-(2-ethoxyphenoxy)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2-ethoxyphenoxy)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 372.43 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 55979406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).