[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate

C18H18FNO6S — CID 46812912

IUPAC[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate
SMILESCN(C(=O)COC(=O)c1ccc(-c2ccccc2F)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H18FNO6S/c1-20(12-8-9-27(23,24)11-12)17(21)10-25-18(22)16-7-6-15(26-16)13-4-2-3-5-14(13)19/h2-7,12H,8-11H2,1H3
InChIKeyBMZUIUMGYWDQQR-UHFFFAOYSA-N
MW395.41 g/mol
LogP1.89
Rot. Bonds5

About [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate

[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate (PubChem CID 46812912) has the molecular formula C18H18FNO6S and a molecular weight of 395.41 g/mol. Its IUPAC name is [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate
PubChem CID46812912
Molecular FormulaC18H18FNO6S
Molecular Weight395.41 g/mol
Exact Mass395.08
IUPAC Name[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate
SMILESCN(C(=O)COC(=O)c1ccc(-c2ccccc2F)o1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H18FNO6S/c1-20(12-8-9-27(23,24)11-12)17(21)10-25-18(22)16-7-6-15(26-16)13-4-2-3-5-14(13)19/h2-7,12H,8-11H2,1H3
InChIKeyBMZUIUMGYWDQQR-UHFFFAOYSA-N
XLogP1.89
TPSA93.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate with MolForge

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Related Compounds

[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl] 5-(2-fluorophenyl)furan-2-carboxylate
CID 9385265
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 6599763
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 3-fluorobenzoate
CID 2523853
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 8011479
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7918901
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 3587605
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 41144257
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate
CID 8666053
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 41188116
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] anthracene-9-carboxylate
CID 7786570
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8650584
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 3-methoxybenzoate
CID 7703025

Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate?
The IUPAC name of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate (CID 46812912) is [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate.
What is the SMILES notation for [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate?
The canonical SMILES for [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate is CN(C(=O)COC(=O)c1ccc(-c2ccccc2F)o1)C1CCS(=O)(=O)C1.
What is the InChIKey of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate?
The InChIKey is BMZUIUMGYWDQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO6S/c1-20(12-8-9-27(23,24)11-12)17(21)10-25-18(22)16-7-6-15(26-16)13-4-2-3-5-14(13)19/h2-7,12H,8-11H2,1H3.
What are the key properties of [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate?
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate has a molecular weight of 395.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate is sourced from PubChem (CID 46812912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).