4-(2-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-3-ylethyl)benzamide

C20H25N3O3S — CID 51193153

IUPAC4-(2-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1)c1cccnc1
InChIInChI=1S/C20H25N3O3S/c1-15-6-3-4-13-23(15)27(25,26)19-10-8-17(9-11-19)20(24)22-16(2)18-7-5-12-21-14-18/h5,7-12,14-16H,3-4,6,13H2,1-2H3,(H,22,24)
InChIKeyWVGKDZWEGIKHCX-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.14
Rot. Bonds5

About 4-(2-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-3-ylethyl)benzamide

4-(2-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-3-ylethyl)benzamide (PubChem CID 51193153) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-3-ylethyl)benzamide
PubChem CID51193153
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name4-(2-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1)c1cccnc1
InChIInChI=1S/C20H25N3O3S/c1-15-6-3-4-13-23(15)27(25,26)19-10-8-17(9-11-19)20(24)22-16(2)18-7-5-12-21-14-18/h5,7-12,14-16H,3-4,6,13H2,1-2H3,(H,22,24)
InChIKeyWVGKDZWEGIKHCX-UHFFFAOYSA-N
XLogP3.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 55693288
N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162988
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46485568
3-(azepan-1-ylsulfonyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193124
4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162991
N'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide
CID 9331872
4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193149
4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 7166838
4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 7166839
3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901608
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
N-[2-(methylamino)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120832996

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-3-ylethyl)benzamide?
The IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-3-ylethyl)benzamide (CID 51193153) is 4-(2-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-3-ylethyl)benzamide is CC(NC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1)c1cccnc1.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-3-ylethyl)benzamide?
The InChIKey is WVGKDZWEGIKHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15-6-3-4-13-23(15)27(25,26)19-10-8-17(9-11-19)20(24)22-16(2)18-7-5-12-21-14-18/h5,7-12,14-16H,3-4,6,13H2,1-2H3,(H,22,24).
What are the key properties of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-3-ylethyl)benzamide?
4-(2-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-3-ylethyl)benzamide has a molecular weight of 387.51 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)sulfonyl-N-(1-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 51193153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).