N-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide

C18H24N4O4S — CID 72892898

IUPACN-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
SMILESCS(=O)(=O)N1CCC(Oc2ccccc2C(=O)NCCn2ccnc2)CC1
InChIInChI=1S/C18H24N4O4S/c1-27(24,25)22-10-6-15(7-11-22)26-17-5-3-2-4-16(17)18(23)20-9-13-21-12-8-19-14-21/h2-5,8,12,14-15H,6-7,9-11,13H2,1H3,(H,20,23)
InChIKeyLQULZPSCYDLASY-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.12
Rot. Bonds7

About N-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide

N-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide (PubChem CID 72892898) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
PubChem CID72892898
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
SMILESCS(=O)(=O)N1CCC(Oc2ccccc2C(=O)NCCn2ccnc2)CC1
InChIInChI=1S/C18H24N4O4S/c1-27(24,25)22-10-6-15(7-11-22)26-17-5-3-2-4-16(17)18(23)20-9-13-21-12-8-19-14-21/h2-5,8,12,14-15H,6-7,9-11,13H2,1H3,(H,20,23)
InChIKeyLQULZPSCYDLASY-UHFFFAOYSA-N
XLogP1.12
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 25453592
2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 97088063
2-cyclobutyloxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 71875442
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 42460138
N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 94018328
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790621
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 61494543
N-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42291142
N-(3-imidazol-1-ylpropyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38103746
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide (CID 72892898) is N-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide is CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)NCCn2ccnc2)CC1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
The InChIKey is LQULZPSCYDLASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-27(24,25)22-10-6-15(7-11-22)26-17-5-3-2-4-16(17)18(23)20-9-13-21-12-8-19-14-21/h2-5,8,12,14-15H,6-7,9-11,13H2,1H3,(H,20,23).
What are the key properties of N-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide?
N-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide has a molecular weight of 392.48 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 72892898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).