N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethylbenzamide

C20H19N3O3S — CID 4290368

IUPACN-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)cc1C
InChIInChI=1S/C20H19N3O3S/c1-13-8-9-15(10-14(13)2)20(24)21-19-17-11-27(25,26)12-18(17)22-23(19)16-6-4-3-5-7-16/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyLYLUWHHKPVMYED-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.17
Rot. Bonds3

About N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethylbenzamide

N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethylbenzamide (PubChem CID 4290368) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethylbenzamide
PubChem CID4290368
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)cc1C
InChIInChI=1S/C20H19N3O3S/c1-13-8-9-15(10-14(13)2)20(24)21-19-17-11-27(25,26)12-18(17)22-23(19)16-6-4-3-5-7-16/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyLYLUWHHKPVMYED-UHFFFAOYSA-N
XLogP3.17
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethylbenzamide?
The IUPAC name of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethylbenzamide (CID 4290368) is N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)cc1C.
What is the InChIKey of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethylbenzamide?
The InChIKey is LYLUWHHKPVMYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-13-8-9-15(10-14(13)2)20(24)21-19-17-11-27(25,26)12-18(17)22-23(19)16-6-4-3-5-7-16/h3-10H,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethylbenzamide?
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethylbenzamide has a molecular weight of 381.46 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethylbenzamide is sourced from PubChem (CID 4290368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).