N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide

C20H19N3O2S — CID 5080073

IUPACN-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)COc2ccccc2)CSC3)cc1
InChIInChI=1S/C20H19N3O2S/c1-14-7-9-15(10-8-14)23-20(17-12-26-13-18(17)22-23)21-19(24)11-25-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,21,24)
InChIKeyAWZXMBBYLVAARH-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.95
Rot. Bonds5

About N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide

N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide (PubChem CID 5080073) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide
PubChem CID5080073
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)COc2ccccc2)CSC3)cc1
InChIInChI=1S/C20H19N3O2S/c1-14-7-9-15(10-8-14)23-20(17-12-26-13-18(17)22-23)21-19(24)11-25-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,21,24)
InChIKeyAWZXMBBYLVAARH-UHFFFAOYSA-N
XLogP3.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide (CID 5080073) is N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide is Cc1ccc(-n2nc3c(c2NC(=O)COc2ccccc2)CSC3)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide?
The InChIKey is AWZXMBBYLVAARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14-7-9-15(10-8-14)23-20(17-12-26-13-18(17)22-23)21-19(24)11-25-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide?
N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide has a molecular weight of 365.46 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 5080073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).