4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide

C18H21NO4S — CID 51098754

IUPAC4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NCC(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-3-24(22,23)16-10-8-15(9-11-16)18(21)19-12-17(20)14-6-4-13(2)5-7-14/h4-11,17,20H,3,12H2,1-2H3,(H,19,21)
InChIKeyWTWUJADQQKWMRI-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.25
Rot. Bonds6

About 4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide

4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide (PubChem CID 51098754) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
PubChem CID51098754
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NCC(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-3-24(22,23)16-10-8-15(9-11-16)18(21)19-12-17(20)14-6-4-13(2)5-7-14/h4-11,17,20H,3,12H2,1-2H3,(H,19,21)
InChIKeyWTWUJADQQKWMRI-UHFFFAOYSA-N
XLogP2.25
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide (CID 51098754) is 4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide is CCS(=O)(=O)c1ccc(C(=O)NCC(O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
The InChIKey is WTWUJADQQKWMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-3-24(22,23)16-10-8-15(9-11-16)18(21)19-12-17(20)14-6-4-13(2)5-7-14/h4-11,17,20H,3,12H2,1-2H3,(H,19,21).
What are the key properties of 4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide has a molecular weight of 347.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 51098754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).