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

C24H26N4O4S2 — CID 3242594

IUPACN-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)CSC3)c(C)c1
InChIInChI=1S/C24H26N4O4S2/c1-16-3-8-22(17(2)13-16)28-23(20-14-33-15-21(20)26-28)25-24(29)18-4-6-19(7-5-18)34(30,31)27-9-11-32-12-10-27/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,29)
InChIKeyRFSFKBMXYMGJQG-UHFFFAOYSA-N
MW498.63 g/mol
LogP3.51
Rot. Bonds5

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

N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 3242594) has the molecular formula C24H26N4O4S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID3242594
Molecular FormulaC24H26N4O4S2
Molecular Weight498.63 g/mol
Exact Mass498.14
IUPAC NameN-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)CSC3)c(C)c1
InChIInChI=1S/C24H26N4O4S2/c1-16-3-8-22(17(2)13-16)28-23(20-14-33-15-21(20)26-28)25-24(29)18-4-6-19(7-5-18)34(30,31)27-9-11-32-12-10-27/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,29)
InChIKeyRFSFKBMXYMGJQG-UHFFFAOYSA-N
XLogP3.51
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 53.51
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-oxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)-4-(piperidin-1-ylsulfonyl)benzamide
CID 2160470
N-(2-(4-methoxyphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-4-(morpholinosulfonyl)benzamide
CID 2160482
N-(2-(2,3-dimethylphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-4-(morpholinosulfonyl)benzamide
CID 3238576
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-(2,3-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,5-dimethylbenzamide
CID 4103556
N-[2-(4-fluorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 5060830
N-(2-(2,4-dimethylphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)thiophene-2-carboxamide
CID 5070030
N-(5,5-dioxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3,5-dimethylbenzamide
CID 4055497
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2051006
4-(morpholinosulfonyl)-N-(5-oxido-2-phenyl-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide
CID 2160478

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide (CID 3242594) is N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide is Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)CSC3)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RFSFKBMXYMGJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S2/c1-16-3-8-22(17(2)13-16)28-23(20-14-33-15-21(20)26-28)25-24(29)18-4-6-19(7-5-18)34(30,31)27-9-11-32-12-10-27/h3-8,13H,9-12,14-15H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 498.63 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 3242594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).