2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-phenylethyl)acetamide

C26H25N3O3S — CID 4028093

IUPAC2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-phenylethyl)acetamide
SMILESCOc1cccc(Cc2nsc(Oc3ccc(CC(=O)NCCc4ccccc4)cc3)n2)c1
InChIInChI=1S/C26H25N3O3S/c1-31-23-9-5-8-21(16-23)17-24-28-26(33-29-24)32-22-12-10-20(11-13-22)18-25(30)27-15-14-19-6-3-2-4-7-19/h2-13,16H,14-15,17-18H2,1H3,(H,27,30)
InChIKeyDUXUCTHQNDQETQ-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.83
Rot. Bonds10

About 2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-phenylethyl)acetamide

2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-phenylethyl)acetamide (PubChem CID 4028093) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is 2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-phenylethyl)acetamide
PubChem CID4028093
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC Name2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-phenylethyl)acetamide
SMILESCOc1cccc(Cc2nsc(Oc3ccc(CC(=O)NCCc4ccccc4)cc3)n2)c1
InChIInChI=1S/C26H25N3O3S/c1-31-23-9-5-8-21(16-23)17-24-28-26(33-29-24)32-22-12-10-20(11-13-22)18-25(30)27-15-14-19-6-3-2-4-7-19/h2-13,16H,14-15,17-18H2,1H3,(H,27,30)
InChIKeyDUXUCTHQNDQETQ-UHFFFAOYSA-N
XLogP4.83
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-methylpropyl)acetamide
CID 4016816
N-[(4-fluorophenyl)methyl]-2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
CID 5099058
2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(3-methylbutan-2-yl)acetamide
CID 4221297
N-butan-2-yl-2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
CID 5116608
N-(2-methoxyethyl)-3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide
CID 4036618
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(2-phenylethyl)benzamide
CID 4304548
N-benzhydryl-3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide
CID 3259414
2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(pyridin-2-ylmethyl)acetamide
CID 5024625
3-[butyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(2-phenylethyl)propanamide
CID 4209267
2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-propylacetamide
CID 42775870
2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(1-phenylethyl)acetamide
CID 3509663
3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(pyridin-4-ylmethyl)benzamide
CID 3903388

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-phenylethyl)acetamide (CID 4028093) is 2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-phenylethyl)acetamide is COc1cccc(Cc2nsc(Oc3ccc(CC(=O)NCCc4ccccc4)cc3)n2)c1.
What is the InChIKey of 2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-phenylethyl)acetamide?
The InChIKey is DUXUCTHQNDQETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-31-23-9-5-8-21(16-23)17-24-28-26(33-29-24)32-22-12-10-20(11-13-22)18-25(30)27-15-14-19-6-3-2-4-7-19/h2-13,16H,14-15,17-18H2,1H3,(H,27,30).
What are the key properties of 2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-phenylethyl)acetamide?
2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-phenylethyl)acetamide has a molecular weight of 459.57 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 4028093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).