4-methyl-N-[6-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide

C21H27N3O4S — CID 53161488

IUPAC4-methyl-N-[6-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)N3CCC(C)CC3)c2=O)cc1
InChIInChI=1S/C21H27N3O4S/c1-15-4-7-18(8-5-15)29(27,28)22-19-9-6-17(3)24(21(19)26)14-20(25)23-12-10-16(2)11-13-23/h4-9,16,22H,10-14H2,1-3H3
InChIKeyIOQIOLQSJSNPCO-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.52
Rot. Bonds5

About 4-methyl-N-[6-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide

4-methyl-N-[6-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide (PubChem CID 53161488) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-methyl-N-[6-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[6-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide
PubChem CID53161488
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name4-methyl-N-[6-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)N3CCC(C)CC3)c2=O)cc1
InChIInChI=1S/C21H27N3O4S/c1-15-4-7-18(8-5-15)29(27,28)22-19-9-6-17(3)24(21(19)26)14-20(25)23-12-10-16(2)11-13-23/h4-9,16,22H,10-14H2,1-3H3
InChIKeyIOQIOLQSJSNPCO-UHFFFAOYSA-N
XLogP2.52
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[6-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide (CID 53161488) is 4-methyl-N-[6-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[6-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[6-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)N3CCC(C)CC3)c2=O)cc1.
What is the InChIKey of 4-methyl-N-[6-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide?
The InChIKey is IOQIOLQSJSNPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-15-4-7-18(8-5-15)29(27,28)22-19-9-6-17(3)24(21(19)26)14-20(25)23-12-10-16(2)11-13-23/h4-9,16,22H,10-14H2,1-3H3.
What are the key properties of 4-methyl-N-[6-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide?
4-methyl-N-[6-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide has a molecular weight of 417.53 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 53161488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).