4-(dimethylsulfamoyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

C21H22N4O3S2 — CID 3245687

IUPAC4-(dimethylsulfamoyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SMILESCc1ccccc1-n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)CSC2
InChIInChI=1S/C21H22N4O3S2/c1-14-6-4-5-7-19(14)25-20(17-12-29-13-18(17)23-25)22-21(26)15-8-10-16(11-9-15)30(27,28)24(2)3/h4-11H,12-13H2,1-3H3,(H,22,26)
InChIKeyHMYWAXWGXYEKJS-UHFFFAOYSA-N
MW442.57 g/mol
LogP3.43
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

4-(dimethylsulfamoyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (PubChem CID 3245687) has the molecular formula C21H22N4O3S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
PubChem CID3245687
Molecular FormulaC21H22N4O3S2
Molecular Weight442.57 g/mol
Exact Mass442.11
IUPAC Name4-(dimethylsulfamoyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SMILESCc1ccccc1-n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)CSC2
InChIInChI=1S/C21H22N4O3S2/c1-14-6-4-5-7-19(14)25-20(17-12-29-13-18(17)23-25)22-21(26)15-8-10-16(11-9-15)30(27,28)24(2)3/h4-11H,12-13H2,1-3H3,(H,22,26)
InChIKeyHMYWAXWGXYEKJS-UHFFFAOYSA-N
XLogP3.43
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
3-methyl-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
CID 756245
2,2-dimethyl-N-[2-(2-methylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]propanamide
CID 4577202
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
3-cyclohexyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 2160264
3-fluoro-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 2160348
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-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 3242594
3-cyclohexyl-N-[2-(4-fluorophenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]propanamide
CID 3243981
N-[2-(4-fluorophenyl)-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-4-(morpholin-4-ylsulfonyl)benzamide
CID 3244628

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (CID 3245687) is 4-(dimethylsulfamoyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)CSC2.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The InChIKey is HMYWAXWGXYEKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S2/c1-14-6-4-5-7-19(14)25-20(17-12-29-13-18(17)23-25)22-21(26)15-8-10-16(11-9-15)30(27,28)24(2)3/h4-11H,12-13H2,1-3H3,(H,22,26).
What are the key properties of 4-(dimethylsulfamoyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
4-(dimethylsulfamoyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide has a molecular weight of 442.57 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is sourced from PubChem (CID 3245687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).