2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide

C20H18FN3O5S — CID 24891897

IUPAC2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
SMILESCOc1ccc(-n2nc3c(c2NC(=O)COc2ccccc2F)CS(=O)(=O)C3)cc1
InChIInChI=1S/C20H18FN3O5S/c1-28-14-8-6-13(7-9-14)24-20(15-11-30(26,27)12-17(15)23-24)22-19(25)10-29-18-5-3-2-4-16(18)21/h2-9H,10-12H2,1H3,(H,22,25)
InChIKeySKJIDRSDISUFSY-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.47
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide

2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide (PubChem CID 24891897) has the molecular formula C20H18FN3O5S and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
PubChem CID24891897
Molecular FormulaC20H18FN3O5S
Molecular Weight431.45 g/mol
Exact Mass431.10
IUPAC Name2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
SMILESCOc1ccc(-n2nc3c(c2NC(=O)COc2ccccc2F)CS(=O)(=O)C3)cc1
InChIInChI=1S/C20H18FN3O5S/c1-28-14-8-6-13(7-9-14)24-20(15-11-30(26,27)12-17(15)23-24)22-19(25)10-29-18-5-3-2-4-16(18)21/h2-9H,10-12H2,1H3,(H,22,25)
InChIKeySKJIDRSDISUFSY-UHFFFAOYSA-N
XLogP2.47
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide (CID 24891897) is 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide is COc1ccc(-n2nc3c(c2NC(=O)COc2ccccc2F)CS(=O)(=O)C3)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The InChIKey is SKJIDRSDISUFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O5S/c1-28-14-8-6-13(7-9-14)24-20(15-11-30(26,27)12-17(15)23-24)22-19(25)10-29-18-5-3-2-4-16(18)21/h2-9H,10-12H2,1H3,(H,22,25).
What are the key properties of 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide has a molecular weight of 431.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide is sourced from PubChem (CID 24891897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).