2-(3-methoxyphenoxy)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide

C20H19N3O3S — CID 7484023

IUPAC2-(3-methoxyphenoxy)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESCOc1cccc(OCC(=O)Nc2c3c(nn2-c2ccccc2)CSC3)c1
InChIInChI=1S/C20H19N3O3S/c1-25-15-8-5-9-16(10-15)26-11-19(24)21-20-17-12-27-13-18(17)22-23(20)14-6-3-2-4-7-14/h2-10H,11-13H2,1H3,(H,21,24)
InChIKeyFJYQASFMLVQLFA-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.65
Rot. Bonds6

About 2-(3-methoxyphenoxy)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide

2-(3-methoxyphenoxy)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (PubChem CID 7484023) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
PubChem CID7484023
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-(3-methoxyphenoxy)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESCOc1cccc(OCC(=O)Nc2c3c(nn2-c2ccccc2)CSC3)c1
InChIInChI=1S/C20H19N3O3S/c1-25-15-8-5-9-16(10-15)26-11-19(24)21-20-17-12-27-13-18(17)22-23(20)14-6-3-2-4-7-14/h2-10H,11-13H2,1H3,(H,21,24)
InChIKeyFJYQASFMLVQLFA-UHFFFAOYSA-N
XLogP3.65
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (CID 7484023) is 2-(3-methoxyphenoxy)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is COc1cccc(OCC(=O)Nc2c3c(nn2-c2ccccc2)CSC3)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The InChIKey is FJYQASFMLVQLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-25-15-8-5-9-16(10-15)26-11-19(24)21-20-17-12-27-13-18(17)22-23(20)14-6-3-2-4-7-14/h2-10H,11-13H2,1H3,(H,21,24).
What are the key properties of 2-(3-methoxyphenoxy)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
2-(3-methoxyphenoxy)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide has a molecular weight of 381.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 7484023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).