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

C20H18FN3O3S — CID 2160305

IUPACN-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2c3c(nn2-c2ccc(F)cc2)CS(=O)C3)cc1
InChIInChI=1S/C20H18FN3O3S/c1-27-16-8-2-13(3-9-16)10-19(25)22-20-17-11-28(26)12-18(17)23-24(20)15-6-4-14(21)5-7-15/h2-9H,10-12H2,1H3,(H,22,25)
InChIKeyQVQSEJBHNCVPJO-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.96
Rot. Bonds5

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

N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 2160305) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID2160305
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC NameN-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2c3c(nn2-c2ccc(F)cc2)CS(=O)C3)cc1
InChIInChI=1S/C20H18FN3O3S/c1-27-16-8-2-13(3-9-16)10-19(25)22-20-17-11-28(26)12-18(17)23-24(20)15-6-4-14(21)5-7-15/h2-9H,10-12H2,1H3,(H,22,25)
InChIKeyQVQSEJBHNCVPJO-UHFFFAOYSA-N
XLogP2.96
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide (CID 2160305) is N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2c3c(nn2-c2ccc(F)cc2)CS(=O)C3)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is QVQSEJBHNCVPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-27-16-8-2-13(3-9-16)10-19(25)22-20-17-11-28(26)12-18(17)23-24(20)15-6-4-14(21)5-7-15/h2-9H,10-12H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide?
N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2160305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).