4-acetyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide

C19H21NO5S — CID 163208050

IUPAC4-acetyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(CO)NC(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H21NO5S/c1-3-26(24,25)17-10-8-15(9-11-17)18(12-21)20-19(23)16-6-4-14(5-7-16)13(2)22/h4-11,18,21H,3,12H2,1-2H3,(H,20,23)
InChIKeyOLROROPIFFMXFJ-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.15
Rot. Bonds7

About 4-acetyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide

4-acetyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide (PubChem CID 163208050) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-acetyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide
PubChem CID163208050
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name4-acetyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(CO)NC(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H21NO5S/c1-3-26(24,25)17-10-8-15(9-11-17)18(12-21)20-19(23)16-6-4-14(5-7-16)13(2)22/h4-11,18,21H,3,12H2,1-2H3,(H,20,23)
InChIKeyOLROROPIFFMXFJ-UHFFFAOYSA-N
XLogP2.15
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide
CID 166644408
4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide
CID 175132146
N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]benzamide
CID 175133925
4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 99699618
N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-4-[2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-4-yl]benzamide
CID 163208015
4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945042
N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-4-[(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]benzamide
CID 166644447
4-[(2S)-2-(1,1-difluoroethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide
CID 146298341
N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-4-[3-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]benzamide
CID 156774656
N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-4-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]benzamide
CID 166646697
1-[[4-acetyl-2-(trifluoromethyl)phenyl]methyl]-2-tert-butyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-5-methylimidazole-4-carboxamide
CID 162070831
(2S)-1-[4-[[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]carbamoyl]phenyl]-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxylic acid
CID 146298119

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide?
The IUPAC name of 4-acetyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide (CID 163208050) is 4-acetyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 4-acetyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 4-acetyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide is CCS(=O)(=O)c1ccc(C(CO)NC(=O)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 4-acetyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide?
The InChIKey is OLROROPIFFMXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-3-26(24,25)17-10-8-15(9-11-17)18(12-21)20-19(23)16-6-4-14(5-7-16)13(2)22/h4-11,18,21H,3,12H2,1-2H3,(H,20,23).
What are the key properties of 4-acetyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide?
4-acetyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide has a molecular weight of 375.45 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 163208050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).