1-[(2S,3S)-2-(benzenesulfonylmethyl)-3-methyl-5-phenyl-2,3-dihydrofuran-4-yl]ethanone

C20H20O4S — CID 10618254

IUPAC1-[(2S,3S)-2-(benzenesulfonylmethyl)-3-methyl-5-phenyl-2,3-dihydrofuran-4-yl]ethanone
SMILESCC(=O)C1=C(c2ccccc2)O[C@H](CS(=O)(=O)c2ccccc2)[C@H]1C
InChIInChI=1S/C20H20O4S/c1-14-18(13-25(22,23)17-11-7-4-8-12-17)24-20(19(14)15(2)21)16-9-5-3-6-10-16/h3-12,14,18H,13H2,1-2H3/t14-,18-/m1/s1
InChIKeyAMTCTHIBRXYKLZ-RDTXWAMCSA-N
MW356.44 g/mol
LogP3.50
Rot. Bonds5

About 1-[(2S,3S)-2-(benzenesulfonylmethyl)-3-methyl-5-phenyl-2,3-dihydrofuran-4-yl]ethanone

1-[(2S,3S)-2-(benzenesulfonylmethyl)-3-methyl-5-phenyl-2,3-dihydrofuran-4-yl]ethanone (PubChem CID 10618254) has the molecular formula C20H20O4S and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-[(2S,3S)-2-(benzenesulfonylmethyl)-3-methyl-5-phenyl-2,3-dihydrofuran-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3S)-2-(benzenesulfonylmethyl)-3-methyl-5-phenyl-2,3-dihydrofuran-4-yl]ethanone
PubChem CID10618254
Molecular FormulaC20H20O4S
Molecular Weight356.44 g/mol
Exact Mass356.11
IUPAC Name1-[(2S,3S)-2-(benzenesulfonylmethyl)-3-methyl-5-phenyl-2,3-dihydrofuran-4-yl]ethanone
SMILESCC(=O)C1=C(c2ccccc2)O[C@H](CS(=O)(=O)c2ccccc2)[C@H]1C
InChIInChI=1S/C20H20O4S/c1-14-18(13-25(22,23)17-11-7-4-8-12-17)24-20(19(14)15(2)21)16-9-5-3-6-10-16/h3-12,14,18H,13H2,1-2H3/t14-,18-/m1/s1
InChIKeyAMTCTHIBRXYKLZ-RDTXWAMCSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 891523
2-(4-Methanesulfonyl-phenyl)-6-methyl-3-p-tolyl-pyran-4-one
CID 9863426
2,2-Dimethyl-5-(4-methylsulfonylphenyl)-4-phenylfuran-3-one
CID 9884461
2-(4-Methanesulfonyl-phenyl)-6-methyl-3-phenyl-pyran-4-one
CID 9927909
3-Cyclohexyl-2-(4-methanesulfonyl-phenyl)-6-methyl-pyran-4-one
CID 11439406
3-Isopropyl-2-(4-methanesulfonyl-phenyl)-6-methyl-pyran-4-one
CID 11243701
3-Benzyl-2-(4-methanesulfonyl-phenyl)-6-methyl-pyran-4-one
CID 11439632
2-Ethyl-2-methyl-5-{4-(methylsulfonyl)phenyl}-4-phenyl-3(2h)-furanone
CID 11164138
2,2-Diethyl-5-(4-methylsulfonylphenyl)-4-phenylfuran-3-one
CID 11257224
3-benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5-(4H)-one-1,1-dioxide
CID 131863
Benzyl 2-(benzenesulfonylmethyl)prop-2-enoate
CID 138971099
2-Ethyl-5-(2-fluoro-4-methylsulfonylphenyl)-4-(3-fluorophenyl)furan-3-one
CID 69958466

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-2-(benzenesulfonylmethyl)-3-methyl-5-phenyl-2,3-dihydrofuran-4-yl]ethanone?
The IUPAC name of 1-[(2S,3S)-2-(benzenesulfonylmethyl)-3-methyl-5-phenyl-2,3-dihydrofuran-4-yl]ethanone (CID 10618254) is 1-[(2S,3S)-2-(benzenesulfonylmethyl)-3-methyl-5-phenyl-2,3-dihydrofuran-4-yl]ethanone.
What is the SMILES notation for 1-[(2S,3S)-2-(benzenesulfonylmethyl)-3-methyl-5-phenyl-2,3-dihydrofuran-4-yl]ethanone?
The canonical SMILES for 1-[(2S,3S)-2-(benzenesulfonylmethyl)-3-methyl-5-phenyl-2,3-dihydrofuran-4-yl]ethanone is CC(=O)C1=C(c2ccccc2)O[C@H](CS(=O)(=O)c2ccccc2)[C@H]1C.
What is the InChIKey of 1-[(2S,3S)-2-(benzenesulfonylmethyl)-3-methyl-5-phenyl-2,3-dihydrofuran-4-yl]ethanone?
The InChIKey is AMTCTHIBRXYKLZ-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H20O4S/c1-14-18(13-25(22,23)17-11-7-4-8-12-17)24-20(19(14)15(2)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 1-[(2S,3S)-2-(benzenesulfonylmethyl)-3-methyl-5-phenyl-2,3-dihydrofuran-4-yl]ethanone?
1-[(2S,3S)-2-(benzenesulfonylmethyl)-3-methyl-5-phenyl-2,3-dihydrofuran-4-yl]ethanone has a molecular weight of 356.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-2-(benzenesulfonylmethyl)-3-methyl-5-phenyl-2,3-dihydrofuran-4-yl]ethanone is sourced from PubChem (CID 10618254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).