4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide

C19H23N3O3S — CID 24982872

IUPAC4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)nc1
InChIInChI=1S/C19H23N3O3S/c1-14-9-11-22(12-10-14)26(24,25)17-6-4-16(5-7-17)19(23)21-18-8-3-15(2)13-20-18/h3-8,13-14H,9-12H2,1-2H3,(H,20,21,23)
InChIKeyAEVORYPKJRESPT-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.06
Rot. Bonds4

About 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide

4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 24982872) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID24982872
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)nc1
InChIInChI=1S/C19H23N3O3S/c1-14-9-11-22(12-10-14)26(24,25)17-6-4-16(5-7-17)19(23)21-18-8-3-15(2)13-20-18/h3-8,13-14H,9-12H2,1-2H3,(H,20,21,23)
InChIKeyAEVORYPKJRESPT-UHFFFAOYSA-N
XLogP3.06
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide (CID 24982872) is 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)nc1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is AEVORYPKJRESPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-9-11-22(12-10-14)26(24,25)17-6-4-16(5-7-17)19(23)21-18-8-3-15(2)13-20-18/h3-8,13-14H,9-12H2,1-2H3,(H,20,21,23).
What are the key properties of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide?
4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 373.48 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 24982872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).