2-methoxy-5-piperidin-1-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C21H23F3N2O4S — CID 100588557

IUPAC2-methoxy-5-piperidin-1-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N2O4S/c1-30-19-9-8-17(31(28,29)26-10-3-2-4-11-26)13-18(19)20(27)25-14-15-6-5-7-16(12-15)21(22,23)24/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,25,27)
InChIKeyCTSCXHFYVVCZAI-UHFFFAOYSA-N
MW456.49 g/mol
LogP3.82
Rot. Bonds6

About 2-methoxy-5-piperidin-1-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

2-methoxy-5-piperidin-1-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 100588557) has the molecular formula C21H23F3N2O4S and a molecular weight of 456.49 g/mol. Its IUPAC name is 2-methoxy-5-piperidin-1-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-piperidin-1-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID100588557
Molecular FormulaC21H23F3N2O4S
Molecular Weight456.49 g/mol
Exact Mass456.13
IUPAC Name2-methoxy-5-piperidin-1-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N2O4S/c1-30-19-9-8-17(31(28,29)26-10-3-2-4-11-26)13-18(19)20(27)25-14-15-6-5-7-16(12-15)21(22,23)24/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,25,27)
InChIKeyCTSCXHFYVVCZAI-UHFFFAOYSA-N
XLogP3.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 28591138
2-methoxy-N-[(2-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590884
2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27244612
5-(azepan-1-ylsulfonyl)-N-[(2-ethoxyphenyl)methyl]-2-methoxybenzamide
CID 30380560
1-(4-methylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 26241503
N-[(3-fluorophenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 53281764
2-methoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 92673076
2-methoxy-5-nitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 25498860
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119430959
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 30490743
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119430958
N-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 53281859

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-piperidin-1-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-methoxy-5-piperidin-1-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 100588557) is 2-methoxy-5-piperidin-1-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-5-piperidin-1-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-methoxy-5-piperidin-1-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-5-piperidin-1-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is CTSCXHFYVVCZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O4S/c1-30-19-9-8-17(31(28,29)26-10-3-2-4-11-26)13-18(19)20(27)25-14-15-6-5-7-16(12-15)21(22,23)24/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,25,27).
What are the key properties of 2-methoxy-5-piperidin-1-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
2-methoxy-5-piperidin-1-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 456.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-piperidin-1-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 100588557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).