[(2S,3S)-2-(benzenesulfonylmethyl)-3,5-dimethyl-2,3-dihydrofuran-4-yl]-phenylmethanone

C20H20O4S — CID 10570255

IUPAC[(2S,3S)-2-(benzenesulfonylmethyl)-3,5-dimethyl-2,3-dihydrofuran-4-yl]-phenylmethanone
SMILESCC1=C(C(=O)c2ccccc2)[C@H](C)[C@@H](CS(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C20H20O4S/c1-14-18(13-25(22,23)17-11-7-4-8-12-17)24-15(2)19(14)20(21)16-9-5-3-6-10-16/h3-12,14,18H,13H2,1-2H3/t14-,18-/m1/s1
InChIKeyBFFKYAZKAAVUOZ-RDTXWAMCSA-N
MW356.44 g/mol
LogP3.65
Rot. Bonds5

About [(2S,3S)-2-(benzenesulfonylmethyl)-3,5-dimethyl-2,3-dihydrofuran-4-yl]-phenylmethanone

[(2S,3S)-2-(benzenesulfonylmethyl)-3,5-dimethyl-2,3-dihydrofuran-4-yl]-phenylmethanone (PubChem CID 10570255) has the molecular formula C20H20O4S and a molecular weight of 356.44 g/mol. Its IUPAC name is [(2S,3S)-2-(benzenesulfonylmethyl)-3,5-dimethyl-2,3-dihydrofuran-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S,3S)-2-(benzenesulfonylmethyl)-3,5-dimethyl-2,3-dihydrofuran-4-yl]-phenylmethanone
PubChem CID10570255
Molecular FormulaC20H20O4S
Molecular Weight356.44 g/mol
Exact Mass356.11
IUPAC Name[(2S,3S)-2-(benzenesulfonylmethyl)-3,5-dimethyl-2,3-dihydrofuran-4-yl]-phenylmethanone
SMILESCC1=C(C(=O)c2ccccc2)[C@H](C)[C@@H](CS(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C20H20O4S/c1-14-18(13-25(22,23)17-11-7-4-8-12-17)24-15(2)19(14)20(21)16-9-5-3-6-10-16/h3-12,14,18H,13H2,1-2H3/t14-,18-/m1/s1
InChIKeyBFFKYAZKAAVUOZ-RDTXWAMCSA-N
XLogP3.65
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-(benzenesulfonylmethyl)-3,5-dimethyl-2,3-dihydrofuran-4-yl]-phenylmethanone?
The IUPAC name of [(2S,3S)-2-(benzenesulfonylmethyl)-3,5-dimethyl-2,3-dihydrofuran-4-yl]-phenylmethanone (CID 10570255) is [(2S,3S)-2-(benzenesulfonylmethyl)-3,5-dimethyl-2,3-dihydrofuran-4-yl]-phenylmethanone.
What is the SMILES notation for [(2S,3S)-2-(benzenesulfonylmethyl)-3,5-dimethyl-2,3-dihydrofuran-4-yl]-phenylmethanone?
The canonical SMILES for [(2S,3S)-2-(benzenesulfonylmethyl)-3,5-dimethyl-2,3-dihydrofuran-4-yl]-phenylmethanone is CC1=C(C(=O)c2ccccc2)[C@H](C)[C@@H](CS(=O)(=O)c2ccccc2)O1.
What is the InChIKey of [(2S,3S)-2-(benzenesulfonylmethyl)-3,5-dimethyl-2,3-dihydrofuran-4-yl]-phenylmethanone?
The InChIKey is BFFKYAZKAAVUOZ-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H20O4S/c1-14-18(13-25(22,23)17-11-7-4-8-12-17)24-15(2)19(14)20(21)16-9-5-3-6-10-16/h3-12,14,18H,13H2,1-2H3/t14-,18-/m1/s1.
What are the key properties of [(2S,3S)-2-(benzenesulfonylmethyl)-3,5-dimethyl-2,3-dihydrofuran-4-yl]-phenylmethanone?
[(2S,3S)-2-(benzenesulfonylmethyl)-3,5-dimethyl-2,3-dihydrofuran-4-yl]-phenylmethanone has a molecular weight of 356.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-(benzenesulfonylmethyl)-3,5-dimethyl-2,3-dihydrofuran-4-yl]-phenylmethanone is sourced from PubChem (CID 10570255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).