2-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide

C19H23N3O3S — CID 6501562

IUPAC2-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccccn1
InChIInChI=1S/C19H23N3O3S/c1-15-8-9-17(26(24,25)22-11-5-2-6-12-22)13-18(15)19(23)21-14-16-7-3-4-10-20-16/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,21,23)
InChIKeyVDYDLRBPZQXCIH-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.49
Rot. Bonds5

About 2-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide

2-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 6501562) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID6501562
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccccn1
InChIInChI=1S/C19H23N3O3S/c1-15-8-9-17(26(24,25)22-11-5-2-6-12-22)13-18(15)19(23)21-14-16-7-3-4-10-20-16/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,21,23)
InChIKeyVDYDLRBPZQXCIH-UHFFFAOYSA-N
XLogP2.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide (CID 6501562) is 2-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccccn1.
What is the InChIKey of 2-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is VDYDLRBPZQXCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15-8-9-17(26(24,25)22-11-5-2-6-12-22)13-18(15)19(23)21-14-16-7-3-4-10-20-16/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,21,23).
What are the key properties of 2-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?
2-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 373.48 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 6501562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).