8-(3-ethoxythiophene-2-carbonyl)-10,10-difluoro-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-1-one

C19H26F2N2O4S — CID 131661241

IUPAC8-(3-ethoxythiophene-2-carbonyl)-10,10-difluoro-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-1-one
SMILESCCOc1ccsc1C(=O)N1CC(F)(F)CC2(CCCN(CCOC)C2=O)C1
InChIInChI=1S/C19H26F2N2O4S/c1-3-27-14-5-10-28-15(14)16(24)23-12-18(11-19(20,21)13-23)6-4-7-22(17(18)25)8-9-26-2/h5,10H,3-4,6-9,11-13H2,1-2H3
InChIKeyXGIMOCLKBFZIDK-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.88
Rot. Bonds6

About 8-(3-ethoxythiophene-2-carbonyl)-10,10-difluoro-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-1-one

8-(3-ethoxythiophene-2-carbonyl)-10,10-difluoro-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 131661241) has the molecular formula C19H26F2N2O4S and a molecular weight of 416.49 g/mol. Its IUPAC name is 8-(3-ethoxythiophene-2-carbonyl)-10,10-difluoro-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name8-(3-ethoxythiophene-2-carbonyl)-10,10-difluoro-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID131661241
Molecular FormulaC19H26F2N2O4S
Molecular Weight416.49 g/mol
Exact Mass416.16
IUPAC Name8-(3-ethoxythiophene-2-carbonyl)-10,10-difluoro-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-1-one
SMILESCCOc1ccsc1C(=O)N1CC(F)(F)CC2(CCCN(CCOC)C2=O)C1
InChIInChI=1S/C19H26F2N2O4S/c1-3-27-14-5-10-28-15(14)16(24)23-12-18(11-19(20,21)13-23)6-4-7-22(17(18)25)8-9-26-2/h5,10H,3-4,6-9,11-13H2,1-2H3
InChIKeyXGIMOCLKBFZIDK-UHFFFAOYSA-N
XLogP2.88
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 25299094
2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
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(5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
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9-(2,5-difluoropyridine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one
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Frequently Asked Questions

What is the IUPAC name of 8-(3-ethoxythiophene-2-carbonyl)-10,10-difluoro-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 8-(3-ethoxythiophene-2-carbonyl)-10,10-difluoro-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-1-one (CID 131661241) is 8-(3-ethoxythiophene-2-carbonyl)-10,10-difluoro-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 8-(3-ethoxythiophene-2-carbonyl)-10,10-difluoro-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 8-(3-ethoxythiophene-2-carbonyl)-10,10-difluoro-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-1-one is CCOc1ccsc1C(=O)N1CC(F)(F)CC2(CCCN(CCOC)C2=O)C1.
What is the InChIKey of 8-(3-ethoxythiophene-2-carbonyl)-10,10-difluoro-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is XGIMOCLKBFZIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O4S/c1-3-27-14-5-10-28-15(14)16(24)23-12-18(11-19(20,21)13-23)6-4-7-22(17(18)25)8-9-26-2/h5,10H,3-4,6-9,11-13H2,1-2H3.
What are the key properties of 8-(3-ethoxythiophene-2-carbonyl)-10,10-difluoro-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-1-one?
8-(3-ethoxythiophene-2-carbonyl)-10,10-difluoro-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 416.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethoxythiophene-2-carbonyl)-10,10-difluoro-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 131661241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).