1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C19H26F3N3O4S — CID 37364113

IUPAC1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)cc1
InChIInChI=1S/C19H26F3N3O4S/c1-3-25(4-2)30(28,29)16-7-5-15(6-8-16)18(27)24-11-9-14(10-12-24)17(26)23-13-19(20,21)22/h5-8,14H,3-4,9-13H2,1-2H3,(H,23,26)
InChIKeyATHWZVSJOZETDZ-UHFFFAOYSA-N
MW449.50 g/mol
LogP2.25
Rot. Bonds7

About 1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 37364113) has the molecular formula C19H26F3N3O4S and a molecular weight of 449.50 g/mol. Its IUPAC name is 1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID37364113
Molecular FormulaC19H26F3N3O4S
Molecular Weight449.50 g/mol
Exact Mass449.16
IUPAC Name1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)cc1
InChIInChI=1S/C19H26F3N3O4S/c1-3-25(4-2)30(28,29)16-7-5-15(6-8-16)18(27)24-11-9-14(10-12-24)17(26)23-13-19(20,21)22/h5-8,14H,3-4,9-13H2,1-2H3,(H,23,26)
InChIKeyATHWZVSJOZETDZ-UHFFFAOYSA-N
XLogP2.25
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55987670
4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 49064767
1-(4-fluorobenzoyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 26425670
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 134803034
N-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55486323
4-N-[4-(diethylsulfamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922315
ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 9093923
N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide
CID 55805923
ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 44533421
4-[4-(2,4-dioxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 121156681
4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 17484027

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 37364113) is 1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)cc1.
What is the InChIKey of 1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is ATHWZVSJOZETDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O4S/c1-3-25(4-2)30(28,29)16-7-5-15(6-8-16)18(27)24-11-9-14(10-12-24)17(26)23-13-19(20,21)22/h5-8,14H,3-4,9-13H2,1-2H3,(H,23,26).
What are the key properties of 1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 449.50 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 37364113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).