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

C14H17N3O4S — CID 650458

IUPAC2-(2-ethoxyphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1nnc(COC)s1
InChIInChI=1S/C14H17N3O4S/c1-3-20-10-6-4-5-7-11(10)21-8-12(18)15-14-17-16-13(22-14)9-19-2/h4-7H,3,8-9H2,1-2H3,(H,15,17,18)
InChIKeyPNSYZJQRDRILDY-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.10
Rot. Bonds8

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

2-(2-ethoxyphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 650458) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID650458
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2-(2-ethoxyphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1nnc(COC)s1
InChIInChI=1S/C14H17N3O4S/c1-3-20-10-6-4-5-7-11(10)21-8-12(18)15-14-17-16-13(22-14)9-19-2/h4-7H,3,8-9H2,1-2H3,(H,15,17,18)
InChIKeyPNSYZJQRDRILDY-UHFFFAOYSA-N
XLogP2.10
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 878471
2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 729595
2-phenoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2102404
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-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 2852882
N-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-[1,3,4]thiadiazol-2-yl}-2-p-tolyloxy-acetamide
CID 6230690
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-phenoxybutanamide
CID 3148068
methyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 1392231
N-[5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-2-ethoxy-acetamide
CID 648343

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 650458) is 2-(2-ethoxyphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is CCOc1ccccc1OCC(=O)Nc1nnc(COC)s1.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is PNSYZJQRDRILDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-3-20-10-6-4-5-7-11(10)21-8-12(18)15-14-17-16-13(22-14)9-19-2/h4-7H,3,8-9H2,1-2H3,(H,15,17,18).
What are the key properties of 2-(2-ethoxyphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2-ethoxyphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 323.37 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 650458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).