2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C20H21N3O3S — CID 9109892

IUPAC2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)COc2ccc(OCc3ccccc3)cc2)s1
InChIInChI=1S/C20H21N3O3S/c1-2-6-19-22-23-20(27-19)21-18(24)14-26-17-11-9-16(10-12-17)25-13-15-7-4-3-5-8-15/h3-5,7-12H,2,6,13-14H2,1H3,(H,21,23,24)
InChIKeyGBLLZSXLUGAAIZ-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.09
Rot. Bonds9

About 2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 9109892) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID9109892
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)COc2ccc(OCc3ccccc3)cc2)s1
InChIInChI=1S/C20H21N3O3S/c1-2-6-19-22-23-20(27-19)21-18(24)14-26-17-11-9-16(10-12-17)25-13-15-7-4-3-5-8-15/h3-5,7-12H,2,6,13-14H2,1H3,(H,21,23,24)
InChIKeyGBLLZSXLUGAAIZ-UHFFFAOYSA-N
XLogP4.09
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 7920328
2-phenoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 872730
2-(4-phenylmethoxyphenyl)-N-[5-[4-[5-[[2-(4-phenylmethoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90183269
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 8696893
2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5202520
2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320789
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7995236
N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-[4-[2-[[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]phenoxy]acetamide
CID 11734868
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 7729168
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 805078
2-(2-propan-2-ylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19178842
2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3477268

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 9109892) is 2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)COc2ccc(OCc3ccccc3)cc2)s1.
What is the InChIKey of 2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is GBLLZSXLUGAAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-2-6-19-22-23-20(27-19)21-18(24)14-26-17-11-9-16(10-12-17)25-13-15-7-4-3-5-8-15/h3-5,7-12H,2,6,13-14H2,1H3,(H,21,23,24).
What are the key properties of 2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 383.47 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 9109892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).