4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide

C18H25N3O3S — CID 19197187

IUPAC4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(CC)c1nnc(NC(=O)CCCOc2ccc(OC)cc2)s1
InChIInChI=1S/C18H25N3O3S/c1-4-13(5-2)17-20-21-18(25-17)19-16(22)7-6-12-24-15-10-8-14(23-3)9-11-15/h8-11,13H,4-7,12H2,1-3H3,(H,19,21,22)
InChIKeyFGBFSZVCXRWIOC-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.25
Rot. Bonds10

About 4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide

4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 19197187) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID19197187
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(CC)c1nnc(NC(=O)CCCOc2ccc(OC)cc2)s1
InChIInChI=1S/C18H25N3O3S/c1-4-13(5-2)17-20-21-18(25-17)19-16(22)7-6-12-24-15-10-8-14(23-3)9-11-15/h8-11,13H,4-7,12H2,1-3H3,(H,19,21,22)
InChIKeyFGBFSZVCXRWIOC-UHFFFAOYSA-N
XLogP4.25
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086863
2-(4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19196426
2-(2,5-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 78804292
4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086877
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19196914
3-(2,3-dimethoxyphenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 18191005
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-propoxyphenoxy)acetamide
CID 32624003
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
2-(3,5-dimethylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 3936393
N-butan-2-yl-4-(4-methoxyphenoxy)butanamide
CID 19175097
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide
CID 19184081
4-(4-methylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 19218777

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 19197187) is 4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide is CCC(CC)c1nnc(NC(=O)CCCOc2ccc(OC)cc2)s1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is FGBFSZVCXRWIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-4-13(5-2)17-20-21-18(25-17)19-16(22)7-6-12-24-15-10-8-14(23-3)9-11-15/h8-11,13H,4-7,12H2,1-3H3,(H,19,21,22).
What are the key properties of 4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 363.48 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 19197187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).