[2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate

C16H18FNO6S — CID 175463079

IUPAC[2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCCS(=O)(=O)N(C)C1=C(OC(C)=O)C(=O)C(C)(c2ccc(F)cc2)O1
InChIInChI=1S/C16H18FNO6S/c1-5-25(21,22)18(4)15-13(23-10(2)19)14(20)16(3,24-15)11-6-8-12(17)9-7-11/h6-9H,5H2,1-4H3
InChIKeyCQAPLABNDYUIMD-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.65
Rot. Bonds5

About [2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate

[2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (PubChem CID 175463079) has the molecular formula C16H18FNO6S and a molecular weight of 371.39 g/mol. Its IUPAC name is [2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
PubChem CID175463079
Molecular FormulaC16H18FNO6S
Molecular Weight371.39 g/mol
Exact Mass371.08
IUPAC Name[2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
SMILESCCS(=O)(=O)N(C)C1=C(OC(C)=O)C(=O)C(C)(c2ccc(F)cc2)O1
InChIInChI=1S/C16H18FNO6S/c1-5-25(21,22)18(4)15-13(23-10(2)19)14(20)16(3,24-15)11-6-8-12(17)9-7-11/h6-9H,5H2,1-4H3
InChIKeyCQAPLABNDYUIMD-UHFFFAOYSA-N
XLogP1.65
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2,3-dimethoxyphenyl)-2-[ethylsulfonyl(methyl)amino]-5-methyl-4-oxofuran-3-yl] acetate
CID 174753565
[5-(2,3-dichlorophenyl)-2-[ethylsulfonyl(methyl)amino]-5-methyl-4-oxofuran-3-yl] acetate
CID 174753573
N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide
CID 174753250
N-[3-hydroxy-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide
CID 174753590
[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833963
[2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate
CID 140833803
[5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833701
N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]-N-methylethanesulfonamide
CID 175463080
N-(3-hydroxy-5-methyl-4-oxo-5-thiophen-2-ylfuran-2-yl)-N-methylethanesulfonamide
CID 174753591
N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-3-ylfuran-2-yl)-N-methylethanesulfonamide
CID 174753543
[5-(4-chlorophenyl)-2-(2,5-dihydroxypyrrol-1-yl)-5-methyl-4-oxofuran-3-yl] acetate
CID 123420434
5-amino-2-(4-fluorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one
CID 140833680

Frequently Asked Questions

What is the IUPAC name of [2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The IUPAC name of [2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate (CID 175463079) is [2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is CCS(=O)(=O)N(C)C1=C(OC(C)=O)C(=O)C(C)(c2ccc(F)cc2)O1.
What is the InChIKey of [2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
The InChIKey is CQAPLABNDYUIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO6S/c1-5-25(21,22)18(4)15-13(23-10(2)19)14(20)16(3,24-15)11-6-8-12(17)9-7-11/h6-9H,5H2,1-4H3.
What are the key properties of [2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate?
[2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate has a molecular weight of 371.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethylsulfonyl(methyl)amino]-5-(4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 175463079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).