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

C18H17N3O4S — CID 1398449

IUPAC2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nnc(NC(=O)COc3ccccc3OC)s2)cc1
InChIInChI=1S/C18H17N3O4S/c1-23-13-9-7-12(8-10-13)17-20-21-18(26-17)19-16(22)11-25-15-6-4-3-5-14(15)24-2/h3-10H,11H2,1-2H3,(H,19,21,22)
InChIKeyMPDVTBNFNHFGHN-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.24
Rot. Bonds7

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

2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 1398449) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID1398449
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nnc(NC(=O)COc3ccccc3OC)s2)cc1
InChIInChI=1S/C18H17N3O4S/c1-23-13-9-7-12(8-10-13)17-20-21-18(26-17)19-16(22)11-25-15-6-4-3-5-14(15)24-2/h3-10H,11H2,1-2H3,(H,19,21,22)
InChIKeyMPDVTBNFNHFGHN-UHFFFAOYSA-N
XLogP3.24
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813938
2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4769785
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813941
2-(4-ethylphenoxy)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1382131
2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991376
2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5202520
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenoxyacetyl)amino]propanamide
CID 46121758
2-(2-methoxyphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172973
(2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100761285
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 82176363
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991360
2-(2-methoxyphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 23613092

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 1398449) is 2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is COc1ccc(-c2nnc(NC(=O)COc3ccccc3OC)s2)cc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is MPDVTBNFNHFGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-23-13-9-7-12(8-10-13)17-20-21-18(26-17)19-16(22)11-25-15-6-4-3-5-14(15)24-2/h3-10H,11H2,1-2H3,(H,19,21,22).
What are the key properties of 2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 371.42 g/mol, XLogP of 3.24, 7 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-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 1398449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).