1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione

C19H21NO5S — CID 71809402

IUPAC1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione
SMILESO=C(CCCC(=O)N1CC(S(=O)(=O)Cc2ccco2)C1)c1ccccc1
InChIInChI=1S/C19H21NO5S/c21-18(15-6-2-1-3-7-15)9-4-10-19(22)20-12-17(13-20)26(23,24)14-16-8-5-11-25-16/h1-3,5-8,11,17H,4,9-10,12-14H2
InChIKeyWWLNRSPLLRUQGB-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.46
Rot. Bonds8

About 1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione

1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione (PubChem CID 71809402) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione
PubChem CID71809402
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione
SMILESO=C(CCCC(=O)N1CC(S(=O)(=O)Cc2ccco2)C1)c1ccccc1
InChIInChI=1S/C19H21NO5S/c21-18(15-6-2-1-3-7-15)9-4-10-19(22)20-12-17(13-20)26(23,24)14-16-8-5-11-25-16/h1-3,5-8,11,17H,4,9-10,12-14H2
InChIKeyWWLNRSPLLRUQGB-UHFFFAOYSA-N
XLogP2.46
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-3,3-diphenylpropan-1-one
CID 71809429
3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide
CID 90594679
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 90590567
[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-(4-methylphenyl)methanone
CID 90594657
4-[3-(furan-2-ylmethylsulfonyl)azetidine-1-carbonyl]benzonitrile
CID 90594430
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 90594579
N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
CID 90594685
(E)-3-(4-chlorophenyl)-1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]prop-2-en-1-one
CID 90594584
[(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone
CID 97427527
2-(2,4-dichlorophenoxy)-1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]ethanone
CID 90594652
1-[(3R,4S)-4-hydroxy-1-(5-oxo-5-phenylpentanoyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134704035
1-[(3R)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-5-phenylpentane-1,5-dione
CID 97417180

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione?
The IUPAC name of 1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione (CID 71809402) is 1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione.
What is the SMILES notation for 1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione?
The canonical SMILES for 1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione is O=C(CCCC(=O)N1CC(S(=O)(=O)Cc2ccco2)C1)c1ccccc1.
What is the InChIKey of 1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione?
The InChIKey is WWLNRSPLLRUQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c21-18(15-6-2-1-3-7-15)9-4-10-19(22)20-12-17(13-20)26(23,24)14-16-8-5-11-25-16/h1-3,5-8,11,17H,4,9-10,12-14H2.
What are the key properties of 1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione?
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione has a molecular weight of 375.45 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione is sourced from PubChem (CID 71809402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).