3-(benzenesulfonyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)propanamide

C21H21NO4S — CID 56764132

IUPAC3-(benzenesulfonyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C21H21NO4S/c23-20(19-12-6-8-16-7-4-5-11-18(16)19)15-22-21(24)13-14-27(25,26)17-9-2-1-3-10-17/h1-12,20,23H,13-15H2,(H,22,24)
InChIKeySVKYULAUFXGUAR-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.85
Rot. Bonds7

About 3-(benzenesulfonyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)propanamide

3-(benzenesulfonyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)propanamide (PubChem CID 56764132) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)propanamide
PubChem CID56764132
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name3-(benzenesulfonyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C21H21NO4S/c23-20(19-12-6-8-16-7-4-5-11-18(16)19)15-22-21(24)13-14-27(25,26)17-9-2-1-3-10-17/h1-12,20,23H,13-15H2,(H,22,24)
InChIKeySVKYULAUFXGUAR-UHFFFAOYSA-N
XLogP2.85
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((4-fluorophenyl)thio)-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)acetamide
CID 56764120
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(phenylsulfonyl)propanamide
CID 71782165
N-[(R)-2-(4-biphenylyl)-2-hydroxypropyl]3-(phenylsulfonyl)propionamide
CID 96351481
N-[(S)-3-hydroxy-3-phenylpropyl]3-(phenylsulfonyl)propionamide
CID 97038586
N-[(R)-2-methoxy-2-(o-tolyl)ethyl]3-(phenylsulfonyl)propionamide
CID 97553626
3-(benzenesulfonyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 71781987
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 60273724
3-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]propanamide
CID 60319944
3-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide
CID 60319945
2-((4-fluorophenyl)thio)-N-(3-hydroxy-3-(naphthalen-1-yl)propyl)acetamide
CID 90524416
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-3-(phenylsulfonyl)propanamide
CID 90534766
2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]acetamide
CID 95367176

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)propanamide (CID 56764132) is 3-(benzenesulfonyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCC(O)c1cccc2ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)propanamide?
The InChIKey is SVKYULAUFXGUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c23-20(19-12-6-8-16-7-4-5-11-18(16)19)15-22-21(24)13-14-27(25,26)17-9-2-1-3-10-17/h1-12,20,23H,13-15H2,(H,22,24).
What are the key properties of 3-(benzenesulfonyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)propanamide?
3-(benzenesulfonyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)propanamide has a molecular weight of 383.47 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)propanamide is sourced from PubChem (CID 56764132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).