2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide

C17H23N3O3S — CID 46508754

IUPAC2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCCCc1nnc(NC(=O)C(C)Oc2ccc(OC)cc2)s1
InChIInChI=1S/C17H23N3O3S/c1-4-5-6-7-15-19-20-17(24-15)18-16(21)12(2)23-14-10-8-13(22-3)9-11-14/h8-12H,4-7H2,1-3H3,(H,18,20,21)
InChIKeyCQSHFZSFCQNBNX-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.69
Rot. Bonds9

About 2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide

2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 46508754) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID46508754
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCCCc1nnc(NC(=O)C(C)Oc2ccc(OC)cc2)s1
InChIInChI=1S/C17H23N3O3S/c1-4-5-6-7-15-19-20-17(24-15)18-16(21)12(2)23-14-10-8-13(22-3)9-11-14/h8-12H,4-7H2,1-3H3,(H,18,20,21)
InChIKeyCQSHFZSFCQNBNX-UHFFFAOYSA-N
XLogP3.69
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.69
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-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
2-(3,4-dimethylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 43843008
(2S)-2-phenoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 7322515
2-ethyl-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]hexanamide
CID 17320485
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
2,5-dimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 51176076
2-hydroxy-5-methoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 112809705
2-(4-methoxyphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134042653
2-(4-methoxyphenyl)-4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 24667908
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
CID 17321306

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide (CID 46508754) is 2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide is CCCCCc1nnc(NC(=O)C(C)Oc2ccc(OC)cc2)s1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is CQSHFZSFCQNBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-4-5-6-7-15-19-20-17(24-15)18-16(21)12(2)23-14-10-8-13(22-3)9-11-14/h8-12H,4-7H2,1-3H3,(H,18,20,21).
What are the key properties of 2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide?
2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 349.46 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 46508754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).