4-ethylsulfanyl-N-(4-hydroxy-2-phenylbutyl)benzamide

C19H23NO2S — CID 110000117

IUPAC4-ethylsulfanyl-N-(4-hydroxy-2-phenylbutyl)benzamide
SMILESCCSc1ccc(C(=O)NCC(CCO)c2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c1-2-23-18-10-8-16(9-11-18)19(22)20-14-17(12-13-21)15-6-4-3-5-7-15/h3-11,17,21H,2,12-14H2,1H3,(H,20,22)
InChIKeyXOMPDZAATSDNOH-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.69
Rot. Bonds8

About 4-ethylsulfanyl-N-(4-hydroxy-2-phenylbutyl)benzamide

4-ethylsulfanyl-N-(4-hydroxy-2-phenylbutyl)benzamide (PubChem CID 110000117) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 4-ethylsulfanyl-N-(4-hydroxy-2-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-ethylsulfanyl-N-(4-hydroxy-2-phenylbutyl)benzamide
PubChem CID110000117
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name4-ethylsulfanyl-N-(4-hydroxy-2-phenylbutyl)benzamide
SMILESCCSc1ccc(C(=O)NCC(CCO)c2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c1-2-23-18-10-8-16(9-11-18)19(22)20-14-17(12-13-21)15-6-4-3-5-7-15/h3-11,17,21H,2,12-14H2,1H3,(H,20,22)
InChIKeyXOMPDZAATSDNOH-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylhexyl)benzamide
CID 59942443
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide
CID 110000332
4-ethylsulfanyl-N-(2-hydroxy-3-methylpentyl)benzamide
CID 110000219
4-ethoxy-N-(5-hydroxy-3-phenylpentyl)benzamide
CID 121112163
5-[(4-hydroxy-2-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685644
N-(5-hydroxy-3-phenylpentyl)-4-methoxybenzamide
CID 121112144
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[(2R)-2-phenylbutyl]benzamide
CID 30777841
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[(2S)-2-phenylbutyl]benzamide
CID 30777843
4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride
CID 119271718
4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
1-butan-2-yl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
CID 111455889

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N-(4-hydroxy-2-phenylbutyl)benzamide?
The IUPAC name of 4-ethylsulfanyl-N-(4-hydroxy-2-phenylbutyl)benzamide (CID 110000117) is 4-ethylsulfanyl-N-(4-hydroxy-2-phenylbutyl)benzamide.
What is the SMILES notation for 4-ethylsulfanyl-N-(4-hydroxy-2-phenylbutyl)benzamide?
The canonical SMILES for 4-ethylsulfanyl-N-(4-hydroxy-2-phenylbutyl)benzamide is CCSc1ccc(C(=O)NCC(CCO)c2ccccc2)cc1.
What is the InChIKey of 4-ethylsulfanyl-N-(4-hydroxy-2-phenylbutyl)benzamide?
The InChIKey is XOMPDZAATSDNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-2-23-18-10-8-16(9-11-18)19(22)20-14-17(12-13-21)15-6-4-3-5-7-15/h3-11,17,21H,2,12-14H2,1H3,(H,20,22).
What are the key properties of 4-ethylsulfanyl-N-(4-hydroxy-2-phenylbutyl)benzamide?
4-ethylsulfanyl-N-(4-hydroxy-2-phenylbutyl)benzamide has a molecular weight of 329.47 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N-(4-hydroxy-2-phenylbutyl)benzamide is sourced from PubChem (CID 110000117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).