1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone

C20H19NO5S — CID 90594579

IUPAC1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CC(S(=O)(=O)Cc2ccco2)C1
InChIInChI=1S/C20H19NO5S/c22-20(13-26-17-8-7-15-4-1-2-5-16(15)10-17)21-11-19(12-21)27(23,24)14-18-6-3-9-25-18/h1-10,19H,11-14H2
InChIKeyPBNMPIYICUXXBY-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.64
Rot. Bonds6

About 1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone

1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone (PubChem CID 90594579) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone
PubChem CID90594579
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CC(S(=O)(=O)Cc2ccco2)C1
InChIInChI=1S/C20H19NO5S/c22-20(13-26-17-8-7-15-4-1-2-5-16(15)10-17)21-11-19(12-21)27(23,24)14-18-6-3-9-25-18/h1-10,19H,11-14H2
InChIKeyPBNMPIYICUXXBY-UHFFFAOYSA-N
XLogP2.64
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.64
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
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-5-phenylpentane-1,5-dione
CID 71809402
3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide
CID 90594704
[(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone
CID 97427527
2-naphthalen-2-yloxy-1-[3-(triazol-2-yl)azetidin-1-yl]ethanone
CID 131703658
1-(3-ethylsulfonylazetidin-1-yl)-2-phenoxyethanone
CID 121164260
(E)-3-(4-chlorophenyl)-1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]prop-2-en-1-one
CID 90594584
N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
CID 90594685
1-[7-(furan-2-yl)-1,4-thiazepan-4-yl]-2-naphthalen-2-yloxyethanone
CID 90632169
[(3S)-3-(furan-2-ylmethylsulfonyl)pyrrolidin-1-yl]-[4-(2-methoxyethoxy)phenyl]methanone
CID 99873509
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one
CID 90590502
4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
CID 2050458

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone (CID 90594579) is 1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone is O=C(COc1ccc2ccccc2c1)N1CC(S(=O)(=O)Cc2ccco2)C1.
What is the InChIKey of 1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone?
The InChIKey is PBNMPIYICUXXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c22-20(13-26-17-8-7-15-4-1-2-5-16(15)10-17)21-11-19(12-21)27(23,24)14-18-6-3-9-25-18/h1-10,19H,11-14H2.
What are the key properties of 1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone?
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone has a molecular weight of 385.44 g/mol, XLogP of 2.64, 6 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]-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 90594579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).