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

C24H28N4O3S2 — CID 3566228

IUPAC4-(diethylsulfamoyl)-N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CSC3)cc1
InChIInChI=1S/C24H28N4O3S2/c1-5-27(6-2)33(30,31)19-12-10-18(11-13-19)24(29)25-23-20-14-32-15-21(20)26-28(23)22-9-7-8-16(3)17(22)4/h7-13H,5-6,14-15H2,1-4H3,(H,25,29)
InChIKeyFDZVCSJKYUCCQG-UHFFFAOYSA-N
MW484.65 g/mol
LogP4.52
Rot. Bonds7

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

4-(diethylsulfamoyl)-N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (PubChem CID 3566228) has the molecular formula C24H28N4O3S2 and a molecular weight of 484.65 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
PubChem CID3566228
Molecular FormulaC24H28N4O3S2
Molecular Weight484.65 g/mol
Exact Mass484.16
IUPAC Name4-(diethylsulfamoyl)-N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CSC3)cc1
InChIInChI=1S/C24H28N4O3S2/c1-5-27(6-2)33(30,31)19-12-10-18(11-13-19)24(29)25-23-20-14-32-15-21(20)26-28(23)22-9-7-8-16(3)17(22)4/h7-13H,5-6,14-15H2,1-4H3,(H,25,29)
InChIKeyFDZVCSJKYUCCQG-UHFFFAOYSA-N
XLogP4.52
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(diethylsulfamoyl)-N-[(5S)-2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 40592288
N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
CID 3245336
N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxypropanamide
CID 4532331
3,5-dichloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 121030584
N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,5-bis(trifluoromethyl)benzamide
CID 40868633
3-(2-chlorophenyl)-N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4609120
N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]pyridine-4-carboxamide
CID 121030645
4-chloro-N-[(5R)-2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 11883674
4-(diethylsulfamoyl)-N-pyridin-2-ylbenzamide
CID 46671899
N-[2-(2,3-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-methoxybenzamide
CID 4644517
4-fluoro-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 5110665
4-methyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4548984

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (CID 3566228) is 4-(diethylsulfamoyl)-N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CSC3)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The InChIKey is FDZVCSJKYUCCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S2/c1-5-27(6-2)33(30,31)19-12-10-18(11-13-19)24(29)25-23-20-14-32-15-21(20)26-28(23)22-9-7-8-16(3)17(22)4/h7-13H,5-6,14-15H2,1-4H3,(H,25,29).
What are the key properties of 4-(diethylsulfamoyl)-N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
4-(diethylsulfamoyl)-N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide has a molecular weight of 484.65 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-(2,3-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is sourced from PubChem (CID 3566228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).