N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide

C18H24N4O3S — CID 3240199

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide
SMILESCN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C18H24N4O3S/c1-21(26(24,25)17-12-19-14-20-17)13-18(23)22-9-7-16(8-10-22)11-15-5-3-2-4-6-15/h2-6,12,14,16H,7-11,13H2,1H3,(H,19,20)
InChIKeyXTBSPTBDGFSNDE-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.51
Rot. Bonds6

About N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide (PubChem CID 3240199) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide
PubChem CID3240199
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide
SMILESCN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C18H24N4O3S/c1-21(26(24,25)17-12-19-14-20-17)13-18(23)22-9-7-16(8-10-22)11-15-5-3-2-4-6-15/h2-6,12,14,16H,7-11,13H2,1H3,(H,19,20)
InChIKeyXTBSPTBDGFSNDE-UHFFFAOYSA-N
XLogP1.51
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide (CID 3240199) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide is CN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is XTBSPTBDGFSNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-21(26(24,25)17-12-19-14-20-17)13-18(23)22-9-7-16(8-10-22)11-15-5-3-2-4-6-15/h2-6,12,14,16H,7-11,13H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 3240199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).