4-(diethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide

C20H25F3N4O4S — CID 90615653

IUPAC4-(diethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCOC3)cc1
InChIInChI=1S/C20H25F3N4O4S/c1-3-26(4-2)32(29,30)15-7-5-14(6-8-15)19(28)24-10-11-27-17-9-12-31-13-16(17)18(25-27)20(21,22)23/h5-8H,3-4,9-13H2,1-2H3,(H,24,28)
InChIKeyCBSIPFVOBDVONB-UHFFFAOYSA-N
MW474.51 g/mol
LogP2.44
Rot. Bonds8

About 4-(diethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide

4-(diethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide (PubChem CID 90615653) has the molecular formula C20H25F3N4O4S and a molecular weight of 474.51 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide
PubChem CID90615653
Molecular FormulaC20H25F3N4O4S
Molecular Weight474.51 g/mol
Exact Mass474.15
IUPAC Name4-(diethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCOC3)cc1
InChIInChI=1S/C20H25F3N4O4S/c1-3-26(4-2)32(29,30)15-7-5-14(6-8-15)19(28)24-10-11-27-17-9-12-31-13-16(17)18(25-27)20(21,22)23/h5-8H,3-4,9-13H2,1-2H3,(H,24,28)
InChIKeyCBSIPFVOBDVONB-UHFFFAOYSA-N
XLogP2.44
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(diethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide with MolForge

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Related Compounds

US10793580, Example 132
CID 146216886
US10793580, Example 131
CID 146217104
3-(3-ethyl-4-oxo-spiro[6,8-dihydro-5H-pyrazolo[4,3-c]azepine-7,4''-tetrahydropyran]-1-yl)propyl 4-sulfamoylbenzoate
CID 151867165
N-({1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}methyl)-3-(trifluoromethyl)benzamide
CID 71808490
2-[3-[1-(2-Fluorobenzoyl)-4-piperidyl]-6,7-dihydropyrano[4,3-C]pyrazol-1(4H)-YL]-N~1~-methylacetamide
CID 91915316
2-[3-[1-(4-fluorobenzoyl)piperidin-4-yl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]-N-methylacetamide
CID 91915320
2-[3-[1-(3-Fluorobenzoyl)-4-piperidyl]-6,7-dihydropyrano[4,3-C]pyrazol-1(4H)-YL]-N~1~-methylacetamide
CID 91915322
4-[(propylamino)sulfonyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
CID 70713595
methyl 4-(N-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)sulfamoyl)benzoate
CID 71807786
4-(N,N-dimethylsulfamoyl)-N-(2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethyl)benzamide
CID 72718582
1-[(4-Fluorophenyl)methyl]-N-(3-methylbutyl)-1H,4H,6H,7H-pyrano[4,3-C]pyrazole-3-carboxamide
CID 132428093
N-[(3S)-1-[(1-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]piperidin-3-yl]-3,4-difluorobenzamide
CID 164631882

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide (CID 90615653) is 4-(diethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCOC3)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide?
The InChIKey is CBSIPFVOBDVONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O4S/c1-3-26(4-2)32(29,30)15-7-5-14(6-8-15)19(28)24-10-11-27-17-9-12-31-13-16(17)18(25-27)20(21,22)23/h5-8H,3-4,9-13H2,1-2H3,(H,24,28).
What are the key properties of 4-(diethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide?
4-(diethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide has a molecular weight of 474.51 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 90615653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).