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

C20H28N4O5S2 — CID 3240427

IUPACN-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1
InChIInChI=1S/C20H28N4O5S2/c1-6-23(7-2)31(28,29)15-10-8-14(9-11-15)19(25)21-18-16-12-30(26,27)13-17(16)22-24(18)20(3,4)5/h8-11H,6-7,12-13H2,1-5H3,(H,21,25)
InChIKeyHFTFXKGNMCMREW-UHFFFAOYSA-N
MW468.60 g/mol
LogP2.35
Rot. Bonds6

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

N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-(diethylsulfamoyl)benzamide (PubChem CID 3240427) has the molecular formula C20H28N4O5S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-(diethylsulfamoyl)benzamide
PubChem CID3240427
Molecular FormulaC20H28N4O5S2
Molecular Weight468.60 g/mol
Exact Mass468.15
IUPAC NameN-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1
InChIInChI=1S/C20H28N4O5S2/c1-6-23(7-2)31(28,29)15-10-8-14(9-11-15)19(25)21-18-16-12-30(26,27)13-17(16)22-24(18)20(3,4)5/h8-11H,6-7,12-13H2,1-5H3,(H,21,25)
InChIKeyHFTFXKGNMCMREW-UHFFFAOYSA-N
XLogP2.35
TPSA118.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 3242072
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenylacetamide
CID 3373386
4-[(diethylamino)sulfonyl]-N-[1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135731907
N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-fluorobenzamide
CID 756298
N-(2-tert-butyl-5-oxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)-4-(piperidin-1-ylsulfonyl)benzamide
CID 2160470
N-(2-(2,3-dimethylphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-4-(morpholinosulfonyl)benzamide
CID 3238576
N-(2-tert-butyl-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)-3,4-dimethylbenzamide
CID 3239738
N-[2-(2,4-dimethylphenyl)-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-4-(morpholin-4-ylsulfonyl)benzamide
CID 3242594
N-[2-(4-fluorophenyl)-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-4-(morpholin-4-ylsulfonyl)benzamide
CID 3244628
4-(dimethylsulfamoyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3245687
N-(2-(tert-butyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-phenylbutanamide
CID 3248492
N-(2-(tert-butyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2,6-difluorobenzamide
CID 3297969

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)-4-(diethylsulfamoyl)benzamide?
The IUPAC name of N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-(diethylsulfamoyl)benzamide (CID 3240427) is N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1.
What is the InChIKey of N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-(diethylsulfamoyl)benzamide?
The InChIKey is HFTFXKGNMCMREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5S2/c1-6-23(7-2)31(28,29)15-10-8-14(9-11-15)19(25)21-18-16-12-30(26,27)13-17(16)22-24(18)20(3,4)5/h8-11H,6-7,12-13H2,1-5H3,(H,21,25).
What are the key properties of N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-(diethylsulfamoyl)benzamide?
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-(diethylsulfamoyl)benzamide has a molecular weight of 468.60 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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)-4-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 3240427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).