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

C22H23N3O2S — CID 7484044

IUPACN-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cc1
InChIInChI=1S/C22H23N3O2S/c1-15(2)16-8-10-18(11-9-16)27-12-21(26)23-22-19-13-28-14-20(19)24-25(22)17-6-4-3-5-7-17/h3-11,15H,12-14H2,1-2H3,(H,23,26)
InChIKeyNGFZVFODZTVCLT-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.76
Rot. Bonds6

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

N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 7484044) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID7484044
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cc1
InChIInChI=1S/C22H23N3O2S/c1-15(2)16-8-10-18(11-9-16)27-12-21(26)23-22-19-13-28-14-20(19)24-25(22)17-6-4-3-5-7-17/h3-11,15H,12-14H2,1-2H3,(H,23,26)
InChIKeyNGFZVFODZTVCLT-UHFFFAOYSA-N
XLogP4.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-propan-2-ylphenoxy)acetamide (CID 7484044) is N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cc1.
What is the InChIKey of N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is NGFZVFODZTVCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-15(2)16-8-10-18(11-9-16)27-12-21(26)23-22-19-13-28-14-20(19)24-25(22)17-6-4-3-5-7-17/h3-11,15H,12-14H2,1-2H3,(H,23,26).
What are the key properties of N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 393.51 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 7484044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).