methyl 2-[2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl]sulfonylacetate

C14H12FNO5S2 — CID 1480266

IUPACmethyl 2-[2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)c1ccsc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12FNO5S2/c1-21-12(17)8-23(19,20)11-6-7-22-13(11)14(18)16-10-4-2-9(15)3-5-10/h2-7H,8H2,1H3,(H,16,18)
InChIKeyBURVJLUUOWYPMZ-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.09
Rot. Bonds5

About methyl 2-[2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl]sulfonylacetate

methyl 2-[2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl]sulfonylacetate (PubChem CID 1480266) has the molecular formula C14H12FNO5S2 and a molecular weight of 357.38 g/mol. Its IUPAC name is methyl 2-[2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl]sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-[2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl]sulfonylacetate
PubChem CID1480266
Molecular FormulaC14H12FNO5S2
Molecular Weight357.38 g/mol
Exact Mass357.01
IUPAC Namemethyl 2-[2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)c1ccsc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12FNO5S2/c1-21-12(17)8-23(19,20)11-6-7-22-13(11)14(18)16-10-4-2-9(15)3-5-10/h2-7H,8H2,1H3,(H,16,18)
InChIKeyBURVJLUUOWYPMZ-UHFFFAOYSA-N
XLogP2.09
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl]sulfonylacetate?
The IUPAC name of methyl 2-[2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl]sulfonylacetate (CID 1480266) is methyl 2-[2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl]sulfonylacetate.
What is the SMILES notation for methyl 2-[2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl]sulfonylacetate?
The canonical SMILES for methyl 2-[2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl]sulfonylacetate is COC(=O)CS(=O)(=O)c1ccsc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of methyl 2-[2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl]sulfonylacetate?
The InChIKey is BURVJLUUOWYPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO5S2/c1-21-12(17)8-23(19,20)11-6-7-22-13(11)14(18)16-10-4-2-9(15)3-5-10/h2-7H,8H2,1H3,(H,16,18).
What are the key properties of methyl 2-[2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl]sulfonylacetate?
methyl 2-[2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl]sulfonylacetate has a molecular weight of 357.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(4-fluorophenyl)carbamoyl]thiophen-3-yl]sulfonylacetate is sourced from PubChem (CID 1480266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).