N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,6-difluorobenzamide

C16H17F2N3O3S — CID 3297969

IUPACN-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,6-difluorobenzamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)c1c(F)cccc1F)CS(=O)(=O)C2
InChIInChI=1S/C16H17F2N3O3S/c1-16(2,3)21-14(9-7-25(23,24)8-12(9)20-21)19-15(22)13-10(17)5-4-6-11(13)18/h4-6H,7-8H2,1-3H3,(H,19,22)
InChIKeyKPWUDNXATWCQQP-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.60
Rot. Bonds2

About N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,6-difluorobenzamide

N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,6-difluorobenzamide (PubChem CID 3297969) has the molecular formula C16H17F2N3O3S and a molecular weight of 369.39 g/mol. Its IUPAC name is N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,6-difluorobenzamide
PubChem CID3297969
Molecular FormulaC16H17F2N3O3S
Molecular Weight369.39 g/mol
Exact Mass369.10
IUPAC NameN-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,6-difluorobenzamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)c1c(F)cccc1F)CS(=O)(=O)C2
InChIInChI=1S/C16H17F2N3O3S/c1-16(2,3)21-14(9-7-25(23,24)8-12(9)20-21)19-15(22)13-10(17)5-4-6-11(13)18/h4-6H,7-8H2,1-3H3,(H,19,22)
InChIKeyKPWUDNXATWCQQP-UHFFFAOYSA-N
XLogP2.60
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,6-difluorobenzamide (CID 3297969) is N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,6-difluorobenzamide is CC(C)(C)n1nc2c(c1NC(=O)c1c(F)cccc1F)CS(=O)(=O)C2.
What is the InChIKey of N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,6-difluorobenzamide?
The InChIKey is KPWUDNXATWCQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3S/c1-16(2,3)21-14(9-7-25(23,24)8-12(9)20-21)19-15(22)13-10(17)5-4-6-11(13)18/h4-6H,7-8H2,1-3H3,(H,19,22).
What are the key properties of N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,6-difluorobenzamide?
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,6-difluorobenzamide has a molecular weight of 369.39 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 3297969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).