4-(4-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

C16H19N3O3S — CID 155567368

IUPAC4-(4-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCC(=O)Nc1ccc(OCCCC(=O)Nc2ncc(C)s2)cc1
InChIInChI=1S/C16H19N3O3S/c1-11-10-17-16(23-11)19-15(21)4-3-9-22-14-7-5-13(6-8-14)18-12(2)20/h5-8,10H,3-4,9H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyMNFAKTBMNRVPDA-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.21
Rot. Bonds7

About 4-(4-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

4-(4-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 155567368) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-(4-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID155567368
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-(4-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCC(=O)Nc1ccc(OCCCC(=O)Nc2ncc(C)s2)cc1
InChIInChI=1S/C16H19N3O3S/c1-11-10-17-16(23-11)19-15(21)4-3-9-22-14-7-5-13(6-8-14)18-12(2)20/h5-8,10H,3-4,9H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyMNFAKTBMNRVPDA-UHFFFAOYSA-N
XLogP3.21
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 155567368) is 4-(4-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is CC(=O)Nc1ccc(OCCCC(=O)Nc2ncc(C)s2)cc1.
What is the InChIKey of 4-(4-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is MNFAKTBMNRVPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-10-17-16(23-11)19-15(21)4-3-9-22-14-7-5-13(6-8-14)18-12(2)20/h5-8,10H,3-4,9H2,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of 4-(4-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(4-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 333.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 155567368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).