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

C18H17N3O4S — CID 1416454

IUPAC2-(2-methoxyphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nnc(COc2ccccc2)s1
InChIInChI=1S/C18H17N3O4S/c1-23-14-9-5-6-10-15(14)25-11-16(22)19-18-21-20-17(26-18)12-24-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,21,22)
InChIKeyIUJGZDALZFGFJA-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.14
Rot. Bonds8

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

2-(2-methoxyphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 1416454) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID1416454
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name2-(2-methoxyphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nnc(COc2ccccc2)s1
InChIInChI=1S/C18H17N3O4S/c1-23-14-9-5-6-10-15(14)25-11-16(22)19-18-21-20-17(26-18)12-24-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,21,22)
InChIKeyIUJGZDALZFGFJA-UHFFFAOYSA-N
XLogP3.14
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 729595
N-(5-Cyclohexyl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929487
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4385887
2-(1,3-benzodioxol-5-yloxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 6493278
2-(1,3-benzodioxol-5-yloxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 6493286
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 929485
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-m-tolyloxy-acetamide
CID 6172639
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-p-tolyloxy-acetamide
CID 6230690
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 976078
2-Methoxy-N-(5-phenoxymethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 652594
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 811240
{5-[2-(4-Methoxy-phenoxy)-acetylamino]-[1,3,4]thiadiazol-2-yl}-acetic acid ethyl ester
CID 1400074

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 1416454) is 2-(2-methoxyphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is COc1ccccc1OCC(=O)Nc1nnc(COc2ccccc2)s1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is IUJGZDALZFGFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-23-14-9-5-6-10-15(14)25-11-16(22)19-18-21-20-17(26-18)12-24-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,21,22).
What are the key properties of 2-(2-methoxyphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2-methoxyphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 371.42 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 1416454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).