2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide

C23H24ClN3O4S — CID 42365409

IUPAC2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CS(=O)(=O)C3)c(C)c1
InChIInChI=1S/C23H24ClN3O4S/c1-14-5-10-20(15(2)11-14)27-21(18-12-32(29,30)13-19(18)26-27)25-22(28)23(3,4)31-17-8-6-16(24)7-9-17/h5-11H,12-13H2,1-4H3,(H,25,28)
InChIKeyDOAREKVVFMPROL-UHFFFAOYSA-N
MW473.98 g/mol
LogP4.37
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide (PubChem CID 42365409) has the molecular formula C23H24ClN3O4S and a molecular weight of 473.98 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
PubChem CID42365409
Molecular FormulaC23H24ClN3O4S
Molecular Weight473.98 g/mol
Exact Mass473.12
IUPAC Name2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CS(=O)(=O)C3)c(C)c1
InChIInChI=1S/C23H24ClN3O4S/c1-14-5-10-20(15(2)11-14)27-21(18-12-32(29,30)13-19(18)26-27)25-22(28)23(3,4)31-17-8-6-16(24)7-9-17/h5-11H,12-13H2,1-4H3,(H,25,28)
InChIKeyDOAREKVVFMPROL-UHFFFAOYSA-N
XLogP4.37
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.98
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide (CID 42365409) is 2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide is Cc1ccc(-n2nc3c(c2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CS(=O)(=O)C3)c(C)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide?
The InChIKey is DOAREKVVFMPROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4S/c1-14-5-10-20(15(2)11-14)27-21(18-12-32(29,30)13-19(18)26-27)25-22(28)23(3,4)31-17-8-6-16(24)7-9-17/h5-11H,12-13H2,1-4H3,(H,25,28).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide has a molecular weight of 473.98 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 42365409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).