1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-sulfonamide

C22H33N5O4S — CID 69043517

IUPAC1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCN(CC(=O)N2CCC(C)(C)CC2)CC1
InChIInChI=1S/C22H33N5O4S/c1-22(2)8-12-26(13-9-22)20(28)15-25-10-6-16(7-11-25)27-19-5-4-17(32(30,31)23-3)14-18(19)24-21(27)29/h4-5,14,16,23H,6-13,15H2,1-3H3,(H,24,29)
InChIKeyGPACBRMTXYEFBH-UHFFFAOYSA-N
MW463.60 g/mol
LogP1.52
Rot. Bonds5

About 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-sulfonamide

1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-sulfonamide (PubChem CID 69043517) has the molecular formula C22H33N5O4S and a molecular weight of 463.60 g/mol. Its IUPAC name is 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-sulfonamide
PubChem CID69043517
Molecular FormulaC22H33N5O4S
Molecular Weight463.60 g/mol
Exact Mass463.23
IUPAC Name1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCN(CC(=O)N2CCC(C)(C)CC2)CC1
InChIInChI=1S/C22H33N5O4S/c1-22(2)8-12-26(13-9-22)20(28)15-25-10-6-16(7-11-25)27-19-5-4-17(32(30,31)23-3)14-18(19)24-21(27)29/h4-5,14,16,23H,6-13,15H2,1-3H3,(H,24,29)
InChIKeyGPACBRMTXYEFBH-UHFFFAOYSA-N
XLogP1.52
TPSA107.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-sulfonamide?
The IUPAC name of 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-sulfonamide (CID 69043517) is 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCN(CC(=O)N2CCC(C)(C)CC2)CC1.
What is the InChIKey of 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-sulfonamide?
The InChIKey is GPACBRMTXYEFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O4S/c1-22(2)8-12-26(13-9-22)20(28)15-25-10-6-16(7-11-25)27-19-5-4-17(32(30,31)23-3)14-18(19)24-21(27)29/h4-5,14,16,23H,6-13,15H2,1-3H3,(H,24,29).
What are the key properties of 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-sulfonamide?
1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-sulfonamide has a molecular weight of 463.60 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-methyl-2-oxo-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 69043517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).