N-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C21H23FN2O3S — CID 131654795

IUPACN-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CN(C(=O)Cc2ccsc2)CC12CCOCC2
InChIInChI=1S/C21H23FN2O3S/c22-16-2-1-3-17(11-16)23-20(26)18-12-24(14-21(18)5-7-27-8-6-21)19(25)10-15-4-9-28-13-15/h1-4,9,11,13,18H,5-8,10,12,14H2,(H,23,26)
InChIKeyHEWVLTCZYZWHPT-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.32
Rot. Bonds4

About N-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 131654795) has the molecular formula C21H23FN2O3S and a molecular weight of 402.49 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID131654795
Molecular FormulaC21H23FN2O3S
Molecular Weight402.49 g/mol
Exact Mass402.14
IUPAC NameN-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CN(C(=O)Cc2ccsc2)CC12CCOCC2
InChIInChI=1S/C21H23FN2O3S/c22-16-2-1-3-17(11-16)23-20(26)18-12-24(14-21(18)5-7-27-8-6-21)19(25)10-15-4-9-28-13-15/h1-4,9,11,13,18H,5-8,10,12,14H2,(H,23,26)
InChIKeyHEWVLTCZYZWHPT-UHFFFAOYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 131654795) is N-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(Nc1cccc(F)c1)C1CN(C(=O)Cc2ccsc2)CC12CCOCC2.
What is the InChIKey of N-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is HEWVLTCZYZWHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3S/c22-16-2-1-3-17(11-16)23-20(26)18-12-24(14-21(18)5-7-27-8-6-21)19(25)10-15-4-9-28-13-15/h1-4,9,11,13,18H,5-8,10,12,14H2,(H,23,26).
What are the key properties of N-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 402.49 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 131654795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).