N-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide

C23H23NO3S — CID 18789573

IUPACN-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide
SMILESO=C(NCCO)c1ccc(SCc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C23H23NO3S/c25-15-14-24-23(26)19-10-12-21(13-11-19)28-17-20-8-4-5-9-22(20)27-16-18-6-2-1-3-7-18/h1-13,25H,14-17H2,(H,24,26)
InChIKeyUNVASRBOQXKFNE-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.28
Rot. Bonds9

About N-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide

N-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide (PubChem CID 18789573) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide
PubChem CID18789573
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC NameN-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide
SMILESO=C(NCCO)c1ccc(SCc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C23H23NO3S/c25-15-14-24-23(26)19-10-12-21(13-11-19)28-17-20-8-4-5-9-22(20)27-16-18-6-2-1-3-7-18/h1-13,25H,14-17H2,(H,24,26)
InChIKeyUNVASRBOQXKFNE-UHFFFAOYSA-N
XLogP4.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
N-(2-hydroxyethyl)-3,5-bis(phenylmethoxy)benzamide
CID 171338561
4-[(2-ethoxyphenyl)methylsulfanyl]benzoic acid
CID 43352356
4-[[2-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63679637
4-benzylsulfanyl-N-[3-(methylamino)propyl]benzamide
CID 119433476
N-(2-hydroxyethyl)-3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide
CID 23209938
N-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide
CID 23245673
3-benzamido-4-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 134132299
4-[(2-fluorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 111432867
N-[(2-phenylmethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 87040886
3-[1-(5-acetyl-2-phenylmethoxyphenyl)propyl]-N-(2-hydroxyethyl)benzamide
CID 67659697
N-(2-aminoethyl)-4-phenylmethoxybenzamide
CID 13064036

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide (CID 18789573) is N-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide is O=C(NCCO)c1ccc(SCc2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide?
The InChIKey is UNVASRBOQXKFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c25-15-14-24-23(26)19-10-12-21(13-11-19)28-17-20-8-4-5-9-22(20)27-16-18-6-2-1-3-7-18/h1-13,25H,14-17H2,(H,24,26).
What are the key properties of N-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide?
N-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide has a molecular weight of 393.51 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide is sourced from PubChem (CID 18789573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).