3,5-ditert-butyl-N-(1-ethylsulfonylpiperidin-4-yl)-4-hydroxybenzamide

C22H36N2O4S — CID 112812290

IUPAC3,5-ditert-butyl-N-(1-ethylsulfonylpiperidin-4-yl)-4-hydroxybenzamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1
InChIInChI=1S/C22H36N2O4S/c1-8-29(27,28)24-11-9-16(10-12-24)23-20(26)15-13-17(21(2,3)4)19(25)18(14-15)22(5,6)7/h13-14,16,25H,8-12H2,1-7H3,(H,23,26)
InChIKeySFWTZRQOFPVKHC-UHFFFAOYSA-N
MW424.61 g/mol
LogP3.53
Rot. Bonds4

About 3,5-ditert-butyl-N-(1-ethylsulfonylpiperidin-4-yl)-4-hydroxybenzamide

3,5-ditert-butyl-N-(1-ethylsulfonylpiperidin-4-yl)-4-hydroxybenzamide (PubChem CID 112812290) has the molecular formula C22H36N2O4S and a molecular weight of 424.61 g/mol. Its IUPAC name is 3,5-ditert-butyl-N-(1-ethylsulfonylpiperidin-4-yl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-N-(1-ethylsulfonylpiperidin-4-yl)-4-hydroxybenzamide
PubChem CID112812290
Molecular FormulaC22H36N2O4S
Molecular Weight424.61 g/mol
Exact Mass424.24
IUPAC Name3,5-ditert-butyl-N-(1-ethylsulfonylpiperidin-4-yl)-4-hydroxybenzamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1
InChIInChI=1S/C22H36N2O4S/c1-8-29(27,28)24-11-9-16(10-12-24)23-20(26)15-13-17(21(2,3)4)19(25)18(14-15)22(5,6)7/h13-14,16,25H,8-12H2,1-7H3,(H,23,26)
InChIKeySFWTZRQOFPVKHC-UHFFFAOYSA-N
XLogP3.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.61
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
CID 110823002
N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062
N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide
CID 127667132
N-(1-ethylsulfonylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 31835472
N-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 31835738
5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
CID 78950028
3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059
N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,5-dihydroxybenzamide
CID 108562882
N-(1-butylsulfonylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 108563028
2-methyl-1,3-dioxo-N-(1-propylsulfonylpiperidin-4-yl)isoindole-5-carboxamide
CID 46456097
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
1-(3,5-dimethylphenyl)-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 47032176

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N-(1-ethylsulfonylpiperidin-4-yl)-4-hydroxybenzamide?
The IUPAC name of 3,5-ditert-butyl-N-(1-ethylsulfonylpiperidin-4-yl)-4-hydroxybenzamide (CID 112812290) is 3,5-ditert-butyl-N-(1-ethylsulfonylpiperidin-4-yl)-4-hydroxybenzamide.
What is the SMILES notation for 3,5-ditert-butyl-N-(1-ethylsulfonylpiperidin-4-yl)-4-hydroxybenzamide?
The canonical SMILES for 3,5-ditert-butyl-N-(1-ethylsulfonylpiperidin-4-yl)-4-hydroxybenzamide is CCS(=O)(=O)N1CCC(NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1.
What is the InChIKey of 3,5-ditert-butyl-N-(1-ethylsulfonylpiperidin-4-yl)-4-hydroxybenzamide?
The InChIKey is SFWTZRQOFPVKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O4S/c1-8-29(27,28)24-11-9-16(10-12-24)23-20(26)15-13-17(21(2,3)4)19(25)18(14-15)22(5,6)7/h13-14,16,25H,8-12H2,1-7H3,(H,23,26).
What are the key properties of 3,5-ditert-butyl-N-(1-ethylsulfonylpiperidin-4-yl)-4-hydroxybenzamide?
3,5-ditert-butyl-N-(1-ethylsulfonylpiperidin-4-yl)-4-hydroxybenzamide has a molecular weight of 424.61 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-N-(1-ethylsulfonylpiperidin-4-yl)-4-hydroxybenzamide is sourced from PubChem (CID 112812290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).