4-methoxy-2-methyl-9-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-1-one

C22H28N2O4S — CID 171908509

IUPAC4-methoxy-2-methyl-9-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOC1CN(C)C(=O)C2(CCN(C(=O)CCc3ccc(-c4cccs4)o3)CC2)C1
InChIInChI=1S/C22H28N2O4S/c1-23-15-17(27-2)14-22(21(23)26)9-11-24(12-10-22)20(25)8-6-16-5-7-18(28-16)19-4-3-13-29-19/h3-5,7,13,17H,6,8-12,14-15H2,1-2H3
InChIKeySRRWICAYZONPLY-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.43
Rot. Bonds5

About 4-methoxy-2-methyl-9-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-1-one

4-methoxy-2-methyl-9-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 171908509) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 4-methoxy-2-methyl-9-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name4-methoxy-2-methyl-9-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID171908509
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name4-methoxy-2-methyl-9-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOC1CN(C)C(=O)C2(CCN(C(=O)CCc3ccc(-c4cccs4)o3)CC2)C1
InChIInChI=1S/C22H28N2O4S/c1-23-15-17(27-2)14-22(21(23)26)9-11-24(12-10-22)20(25)8-6-16-5-7-18(28-16)19-4-3-13-29-19/h3-5,7,13,17H,6,8-12,14-15H2,1-2H3
InChIKeySRRWICAYZONPLY-UHFFFAOYSA-N
XLogP3.43
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(hydroxymethyl)-1,4-oxazepan-4-yl]-3-(5-thiophen-2-ylfuran-2-yl)propan-1-one
CID 70718616
3-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 154817885
1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-3-(5-thiophen-2-ylfuran-2-yl)propan-1-one
CID 72874083
9-(2,2-difluoro-1,3-benzodioxole-4-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one
CID 171907209
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
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
(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
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
9-(5-fluoropyridine-3-carbonyl)-4-methoxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one
CID 171914992
(2S,4R)-N,1-dimethyl-4-[3-(5-thiophen-2-ylfuran-2-yl)propanoylamino]pyrrolidine-2-carboxamide
CID 72938267
1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264543

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-9-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 4-methoxy-2-methyl-9-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-1-one (CID 171908509) is 4-methoxy-2-methyl-9-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 4-methoxy-2-methyl-9-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 4-methoxy-2-methyl-9-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-1-one is COC1CN(C)C(=O)C2(CCN(C(=O)CCc3ccc(-c4cccs4)o3)CC2)C1.
What is the InChIKey of 4-methoxy-2-methyl-9-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is SRRWICAYZONPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-23-15-17(27-2)14-22(21(23)26)9-11-24(12-10-22)20(25)8-6-16-5-7-18(28-16)19-4-3-13-29-19/h3-5,7,13,17H,6,8-12,14-15H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-9-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-1-one?
4-methoxy-2-methyl-9-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 416.54 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-9-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 171908509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).