N-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide

C20H25N3O3S — CID 78795855

IUPACN-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide
SMILESCN(CCc1ccccn1)C(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H25N3O3S/c1-22(16-12-17-9-5-6-13-21-17)20(24)18-10-3-4-11-19(18)27(25,26)23-14-7-2-8-15-23/h3-6,9-11,13H,2,7-8,12,14-16H2,1H3
InChIKeyZIBFWPDZPMXRJH-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.57
Rot. Bonds6

About N-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide

N-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 78795855) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound NameN-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID78795855
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide
SMILESCN(CCc1ccccn1)C(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H25N3O3S/c1-22(16-12-17-9-5-6-13-21-17)20(24)18-10-3-4-11-19(18)27(25,26)23-14-7-2-8-15-23/h3-6,9-11,13H,2,7-8,12,14-16H2,1H3
InChIKeyZIBFWPDZPMXRJH-UHFFFAOYSA-N
XLogP2.57
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037324
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55549584
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 66463234
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55336076
N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55918493
N-butyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 120715260
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55417929
3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115646430
N-benzyl-N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78796030
2-[(2-piperidin-1-ylsulfonylphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111039833
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
2-methyl-1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968025

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of N-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide (CID 78795855) is N-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for N-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for N-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide is CN(CCc1ccccn1)C(=O)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is ZIBFWPDZPMXRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-22(16-12-17-9-5-6-13-21-17)20(24)18-10-3-4-11-19(18)27(25,26)23-14-7-2-8-15-23/h3-6,9-11,13H,2,7-8,12,14-16H2,1H3.
What are the key properties of N-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide?
N-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 387.51 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperidin-1-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 78795855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).