N-[2-(1-benzothiophen-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C19H24N2O2S — CID 71868526

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCCc1csc2ccccc12)N1CCC2(CCOCC2)C1
InChIInChI=1S/C19H24N2O2S/c22-18(21-10-6-19(14-21)7-11-23-12-8-19)20-9-5-15-13-24-17-4-2-1-3-16(15)17/h1-4,13H,5-12,14H2,(H,20,22)
InChIKeyPXWCFFUKTCRGJQ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.66
Rot. Bonds3

About N-[2-(1-benzothiophen-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-[2-(1-benzothiophen-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 71868526) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID71868526
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCCc1csc2ccccc12)N1CCC2(CCOCC2)C1
InChIInChI=1S/C19H24N2O2S/c22-18(21-10-6-19(14-21)7-11-23-12-8-19)20-9-5-15-13-24-17-4-2-1-3-16(15)17/h1-4,13H,5-12,14H2,(H,20,22)
InChIKeyPXWCFFUKTCRGJQ-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 71868526) is N-[2-(1-benzothiophen-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is O=C(NCCc1csc2ccccc12)N1CCC2(CCOCC2)C1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is PXWCFFUKTCRGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c22-18(21-10-6-19(14-21)7-11-23-12-8-19)20-9-5-15-13-24-17-4-2-1-3-16(15)17/h1-4,13H,5-12,14H2,(H,20,22).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-[2-(1-benzothiophen-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 71868526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).