N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylsulfanylbenzamide

C23H23NO2S — CID 71781815

IUPACN-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(C)(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23NO2S/c1-23(26,16-24-22(25)20-10-6-7-11-21(20)27-2)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-15,26H,16H2,1-2H3,(H,24,25)
InChIKeyHLSKOXKYSDOMHR-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.71
Rot. Bonds6

About N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylsulfanylbenzamide

N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylsulfanylbenzamide (PubChem CID 71781815) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylsulfanylbenzamide
PubChem CID71781815
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC NameN-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(C)(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23NO2S/c1-23(26,16-24-22(25)20-10-6-7-11-21(20)27-2)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-15,26H,16H2,1-2H3,(H,24,25)
InChIKeyHLSKOXKYSDOMHR-UHFFFAOYSA-N
XLogP4.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-4''-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-(isopropylthio)biphenyl-4-carboxylic acid
CID 11453340
2-{[N-benzylcarbamoyl]methylthio}benzoic acid
CID 2347074
4-[[(4-Phenylbenzoyl)amino]methyl]benzoic acid
CID 17171912
4''-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-3-(isopropylsulfanyl)-N-(methylsulfonyl)biphenyl-4-carboxamide Hydrochloride
CID 11352782
4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51098754
2-(methylthio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 56764210
2-((difluoromethyl)thio)-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)benzamide
CID 76147781
2-((difluoromethyl)sulfonyl)-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)benzamide
CID 76147782
N-[(S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-4-biphenylcarboxamide
CID 95367387
N-[(R)-2-(4-biphenylyl)-2-hydroxypropyl]2,6-difluorobenzamide
CID 95982822
N-[(R)-2-(4-biphenylyl)-2-hydroxypropyl]o-(trifluoromethyl)benzamide
CID 96351471
N-[(R)-2-(o-fluorophenyl)-2-methoxypropyl]o-(methylthio)benzamide
CID 97428348

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylsulfanylbenzamide (CID 71781815) is N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCC(C)(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylsulfanylbenzamide?
The InChIKey is HLSKOXKYSDOMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-23(26,16-24-22(25)20-10-6-7-11-21(20)27-2)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-15,26H,16H2,1-2H3,(H,24,25).
What are the key properties of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylsulfanylbenzamide?
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylsulfanylbenzamide has a molecular weight of 377.51 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 71781815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).