3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide

C22H19N3O3S — CID 44583560

IUPAC3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
SMILESO=C1OC2(CCN(C(=O)Nc3nc(-c4ccccc4)cs3)CC2)c2ccccc21
InChIInChI=1S/C22H19N3O3S/c26-19-16-8-4-5-9-17(16)22(28-19)10-12-25(13-11-22)21(27)24-20-23-18(14-29-20)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,24,27)
InChIKeyVUPDMJLETWSFDS-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.50
Rot. Bonds2

About 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide

3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide (PubChem CID 44583560) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
PubChem CID44583560
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
SMILESO=C1OC2(CCN(C(=O)Nc3nc(-c4ccccc4)cs3)CC2)c2ccccc21
InChIInChI=1S/C22H19N3O3S/c26-19-16-8-4-5-9-17(16)22(28-19)10-12-25(13-11-22)21(27)24-20-23-18(14-29-20)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,24,27)
InChIKeyVUPDMJLETWSFDS-UHFFFAOYSA-N
XLogP4.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The IUPAC name of 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide (CID 44583560) is 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide is O=C1OC2(CCN(C(=O)Nc3nc(-c4ccccc4)cs3)CC2)c2ccccc21.
What is the InChIKey of 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The InChIKey is VUPDMJLETWSFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c26-19-16-8-4-5-9-17(16)22(28-19)10-12-25(13-11-22)21(27)24-20-23-18(14-29-20)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,24,27).
What are the key properties of 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 44583560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).