2-(5-fluoro-2-methoxyphenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-2-oxoacetamide

C17H19FN2O3S — CID 71878382

IUPAC2-(5-fluoro-2-methoxyphenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-2-oxoacetamide
SMILESCOc1ccc(F)cc1C(=O)C(=O)NCCCCc1nc(C)cs1
InChIInChI=1S/C17H19FN2O3S/c1-11-10-24-15(20-11)5-3-4-8-19-17(22)16(21)13-9-12(18)6-7-14(13)23-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,22)
InChIKeyQQGVJDBYGKRFDR-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.92
Rot. Bonds8

About 2-(5-fluoro-2-methoxyphenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-2-oxoacetamide

2-(5-fluoro-2-methoxyphenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-2-oxoacetamide (PubChem CID 71878382) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-2-oxoacetamide
PubChem CID71878382
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-2-oxoacetamide
SMILESCOc1ccc(F)cc1C(=O)C(=O)NCCCCc1nc(C)cs1
InChIInChI=1S/C17H19FN2O3S/c1-11-10-24-15(20-11)5-3-4-8-19-17(22)16(21)13-9-12(18)6-7-14(13)23-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,22)
InChIKeyQQGVJDBYGKRFDR-UHFFFAOYSA-N
XLogP2.92
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-2-oxoacetamide?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-2-oxoacetamide (CID 71878382) is 2-(5-fluoro-2-methoxyphenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-2-oxoacetamide.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-2-oxoacetamide?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-2-oxoacetamide is COc1ccc(F)cc1C(=O)C(=O)NCCCCc1nc(C)cs1.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-2-oxoacetamide?
The InChIKey is QQGVJDBYGKRFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-11-10-24-15(20-11)5-3-4-8-19-17(22)16(21)13-9-12(18)6-7-14(13)23-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,19,22).
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-2-oxoacetamide?
2-(5-fluoro-2-methoxyphenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-2-oxoacetamide has a molecular weight of 350.42 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-2-oxoacetamide is sourced from PubChem (CID 71878382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).