2-(2-tert-butyl-4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide

C20H29N3O2S — CID 19196681

IUPAC2-(2-tert-butyl-4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCC(CC)c1nnc(NC(=O)COc2ccc(C)cc2C(C)(C)C)s1
InChIInChI=1S/C20H29N3O2S/c1-7-14(8-2)18-22-23-19(26-18)21-17(24)12-25-16-10-9-13(3)11-15(16)20(4,5)6/h9-11,14H,7-8,12H2,1-6H3,(H,21,23,24)
InChIKeyOWIFVJQUFBBREZ-UHFFFAOYSA-N
MW375.54 g/mol
LogP5.07
Rot. Bonds7

About 2-(2-tert-butyl-4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(2-tert-butyl-4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 19196681) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID19196681
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC Name2-(2-tert-butyl-4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCC(CC)c1nnc(NC(=O)COc2ccc(C)cc2C(C)(C)C)s1
InChIInChI=1S/C20H29N3O2S/c1-7-14(8-2)18-22-23-19(26-18)21-17(24)12-25-16-10-9-13(3)11-15(16)20(4,5)6/h9-11,14H,7-8,12H2,1-6H3,(H,21,23,24)
InChIKeyOWIFVJQUFBBREZ-UHFFFAOYSA-N
XLogP5.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.54
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19196426
2-(3,5-dimethylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 3936393
2-(2-bromo-4-phenylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19196783
2-(3-fluorophenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2675897
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19196914
2-(3-chlorophenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2241620
2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 78804292
2-(4-bromo-2-tert-butylphenoxy)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19218080
2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196678
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate
CID 19169245
2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19217734

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 19196681) is 2-(2-tert-butyl-4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-tert-butyl-4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-tert-butyl-4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is CCC(CC)c1nnc(NC(=O)COc2ccc(C)cc2C(C)(C)C)s1.
What is the InChIKey of 2-(2-tert-butyl-4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is OWIFVJQUFBBREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-7-14(8-2)18-22-23-19(26-18)21-17(24)12-25-16-10-9-13(3)11-15(16)20(4,5)6/h9-11,14H,7-8,12H2,1-6H3,(H,21,23,24).
What are the key properties of 2-(2-tert-butyl-4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-tert-butyl-4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 375.54 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 19196681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).