2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C23H26F3N3O4S — CID 46543355

IUPAC2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3C(=O)NCC(F)(F)F)cc2)C1
InChIInChI=1S/C23H26F3N3O4S/c1-15-11-16(2)13-29(12-15)34(32,33)18-9-7-17(8-10-18)21(30)28-20-6-4-3-5-19(20)22(31)27-14-23(24,25)26/h3-10,15-16H,11-14H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyIHVNROAHDOHHJD-UHFFFAOYSA-N
MW497.54 g/mol
LogP3.90
Rot. Bonds6

About 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 46543355) has the molecular formula C23H26F3N3O4S and a molecular weight of 497.54 g/mol. Its IUPAC name is 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID46543355
Molecular FormulaC23H26F3N3O4S
Molecular Weight497.54 g/mol
Exact Mass497.16
IUPAC Name2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3C(=O)NCC(F)(F)F)cc2)C1
InChIInChI=1S/C23H26F3N3O4S/c1-15-11-16(2)13-29(12-15)34(32,33)18-9-7-17(8-10-18)21(30)28-20-6-4-3-5-19(20)22(31)27-14-23(24,25)26/h3-10,15-16H,11-14H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyIHVNROAHDOHHJD-UHFFFAOYSA-N
XLogP3.90
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.54
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-2-[[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]benzamide
CID 51707771
2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55492050
2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 17426970
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide
CID 18271490
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(9,10-dioxoanthracen-1-yl)benzamide
CID 92848131
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55614333
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluorophenyl)benzamide
CID 2634767
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 4113027
[3-[[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-2,2-dimethylpropyl]-dimethylazanium
CID 9084052
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(triazol-1-yl)phenyl]benzamide
CID 112835248
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961549

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 46543355) is 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3C(=O)NCC(F)(F)F)cc2)C1.
What is the InChIKey of 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is IHVNROAHDOHHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O4S/c1-15-11-16(2)13-29(12-15)34(32,33)18-9-7-17(8-10-18)21(30)28-20-6-4-3-5-19(20)22(31)27-14-23(24,25)26/h3-10,15-16H,11-14H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 497.54 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 46543355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).