3-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

C20H24N2O4S — CID 154817885

IUPAC3-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESO=C1CCOC2(CCN(C(=O)CCc3ccc(-c4cccs4)o3)CC2)CN1
InChIInChI=1S/C20H24N2O4S/c23-18-7-12-25-20(14-21-18)8-10-22(11-9-20)19(24)6-4-15-3-5-16(26-15)17-2-1-13-27-17/h1-3,5,13H,4,6-12,14H2,(H,21,23)
InChIKeyCNPCRBQDKNAMME-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.84
Rot. Bonds4

About 3-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

3-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (PubChem CID 154817885) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.

Molecular Properties

Compound Name3-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
PubChem CID154817885
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESO=C1CCOC2(CCN(C(=O)CCc3ccc(-c4cccs4)o3)CC2)CN1
InChIInChI=1S/C20H24N2O4S/c23-18-7-12-25-20(14-21-18)8-10-22(11-9-20)19(24)6-4-15-3-5-16(26-15)17-2-1-13-27-17/h1-3,5,13H,4,6-12,14H2,(H,21,23)
InChIKeyCNPCRBQDKNAMME-UHFFFAOYSA-N
XLogP2.84
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-3-(5-thiophen-2-ylfuran-2-yl)propan-1-one
CID 72874083
4-methoxy-2-methyl-9-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 171908509
1-[6-(hydroxymethyl)-1,4-oxazepan-4-yl]-3-(5-thiophen-2-ylfuran-2-yl)propan-1-one
CID 70718616
1-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-(5-thiophen-2-ylfuran-2-yl)propan-1-one
CID 169415555
2-[4-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]morpholin-3-yl]acetamide
CID 56908769
(3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 169411640
3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 154819330
1-(4-hydroxy-4-methylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 80706917
(3aS,6aS)-N-cyclopropyl-5-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;formic acid
CID 171338722
9-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162631980
1-[(1S,9S)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]-3-(5-thiophen-2-ylfuran-2-yl)propan-1-one
CID 118794992
3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 22587446

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The IUPAC name of 3-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (CID 154817885) is 3-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.
What is the SMILES notation for 3-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The canonical SMILES for 3-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is O=C1CCOC2(CCN(C(=O)CCc3ccc(-c4cccs4)o3)CC2)CN1.
What is the InChIKey of 3-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The InChIKey is CNPCRBQDKNAMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c23-18-7-12-25-20(14-21-18)8-10-22(11-9-20)19(24)6-4-15-3-5-16(26-15)17-2-1-13-27-17/h1-3,5,13H,4,6-12,14H2,(H,21,23).
What are the key properties of 3-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
3-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one has a molecular weight of 388.49 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is sourced from PubChem (CID 154817885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).