3-(2-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide

C24H21ClN4O4S — CID 3238491

IUPAC3-(2-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)c2c(-c4ccccc4Cl)noc2C)CS(=O)(=O)C3)c(C)c1
InChIInChI=1S/C24H21ClN4O4S/c1-13-8-9-20(14(2)10-13)29-23(17-11-34(31,32)12-19(17)27-29)26-24(30)21-15(3)33-28-22(21)16-6-4-5-7-18(16)25/h4-10H,11-12H2,1-3H3,(H,26,30)
InChIKeyUXUSJFIDAOMZCP-UHFFFAOYSA-N
MW496.98 g/mol
LogP4.79
Rot. Bonds4

About 3-(2-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 3238491) has the molecular formula C24H21ClN4O4S and a molecular weight of 496.98 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID3238491
Molecular FormulaC24H21ClN4O4S
Molecular Weight496.98 g/mol
Exact Mass496.10
IUPAC Name3-(2-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)c2c(-c4ccccc4Cl)noc2C)CS(=O)(=O)C3)c(C)c1
InChIInChI=1S/C24H21ClN4O4S/c1-13-8-9-20(14(2)10-13)29-23(17-11-34(31,32)12-19(17)27-29)26-24(30)21-15(3)33-28-22(21)16-6-4-5-7-18(16)25/h4-10H,11-12H2,1-3H3,(H,26,30)
InChIKeyUXUSJFIDAOMZCP-UHFFFAOYSA-N
XLogP4.79
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.98
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide (CID 3238491) is 3-(2-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1ccc(-n2nc3c(c2NC(=O)c2c(-c4ccccc4Cl)noc2C)CS(=O)(=O)C3)c(C)c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is UXUSJFIDAOMZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4S/c1-13-8-9-20(14(2)10-13)29-23(17-11-34(31,32)12-19(17)27-29)26-24(30)21-15(3)33-28-22(21)16-6-4-5-7-18(16)25/h4-10H,11-12H2,1-3H3,(H,26,30).
What are the key properties of 3-(2-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 496.98 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3238491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).