4-(2-methoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide

C17H21N3O4S — CID 2956985

IUPAC4-(2-methoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCOc1ccccc1OCCCC(=O)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C17H21N3O4S/c1-22-12-6-2-3-7-13(12)23-11-5-9-15(21)18-17-20-19-16(25-17)14-8-4-10-24-14/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,18,20,21)
InChIKeyXQGALOTYYUXOLW-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.20
Rot. Bonds8

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

4-(2-methoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 2956985) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID2956985
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name4-(2-methoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCOc1ccccc1OCCCC(=O)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C17H21N3O4S/c1-22-12-6-2-3-7-13(12)23-11-5-9-15(21)18-17-20-19-16(25-17)14-8-4-10-24-14/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,18,20,21)
InChIKeyXQGALOTYYUXOLW-UHFFFAOYSA-N
XLogP3.20
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 729595
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 929485
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-phenoxybutanamide
CID 3148068
4-(4-Methoxy-phenoxy)-N-[5-(tetrahydro-furan-2-yl)-[1,3,4]thiadiazol-2-yl]-butyramide
CID 645252
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3282605
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3957929
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4354530
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
CID 2973785
2-(2-methoxyphenoxy)-N-(5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl)acetamide
CID 1416454
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 810814
4-(2,3-dimethylphenoxy)-N-[5-(tetrahydro-2-furanyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2969216
2-(2-Ethoxy-phenoxy)-N-(5-methoxymethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 650458

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of 4-(2-methoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide (CID 2956985) is 4-(2-methoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for 4-(2-methoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for 4-(2-methoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide is COc1ccccc1OCCCC(=O)Nc1nnc(C2CCCO2)s1.
What is the InChIKey of 4-(2-methoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is XQGALOTYYUXOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-22-12-6-2-3-7-13(12)23-11-5-9-15(21)18-17-20-19-16(25-17)14-8-4-10-24-14/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,18,20,21).
What are the key properties of 4-(2-methoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide?
4-(2-methoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 363.44 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 2956985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).