2-[(R)-ethylsulfinyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]benzamide

C23H23NO2S — CID 39952272

IUPAC2-[(R)-ethylsulfinyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]benzamide
SMILESCC[S@@](=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23NO2S/c1-3-27(26)22-12-8-7-11-21(22)23(25)24-17(2)18-13-15-20(16-14-18)19-9-5-4-6-10-19/h4-17H,3H2,1-2H3,(H,24,25)/t17-,27+/m0/s1
InChIKeyJYSOCZIVZYNRTK-CBZJRKILSA-N
MW377.51 g/mol
LogP4.97
Rot. Bonds6

About 2-[(R)-ethylsulfinyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]benzamide

2-[(R)-ethylsulfinyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]benzamide (PubChem CID 39952272) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-[(R)-ethylsulfinyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[(R)-ethylsulfinyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]benzamide
PubChem CID39952272
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Name2-[(R)-ethylsulfinyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]benzamide
SMILESCC[S@@](=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23NO2S/c1-3-27(26)22-12-8-7-11-21(22)23(25)24-17(2)18-13-15-20(16-14-18)19-9-5-4-6-10-19/h4-17H,3H2,1-2H3,(H,24,25)/t17-,27+/m0/s1
InChIKeyJYSOCZIVZYNRTK-CBZJRKILSA-N
XLogP4.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide
CID 97311230
(E)-2-[(2-ethylsulfinylbenzoyl)amino]hex-4-enoic acid
CID 120693611
N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515353
2-methyl-N-[1-(4-phenylphenyl)ethyl]propanamide
CID 43011131
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 97255775
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide
CID 167985714
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-ethylsulfinyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]benzamide?
The IUPAC name of 2-[(R)-ethylsulfinyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]benzamide (CID 39952272) is 2-[(R)-ethylsulfinyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[(R)-ethylsulfinyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]benzamide?
The canonical SMILES for 2-[(R)-ethylsulfinyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]benzamide is CC[S@@](=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[(R)-ethylsulfinyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]benzamide?
The InChIKey is JYSOCZIVZYNRTK-CBZJRKILSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-3-27(26)22-12-8-7-11-21(22)23(25)24-17(2)18-13-15-20(16-14-18)19-9-5-4-6-10-19/h4-17H,3H2,1-2H3,(H,24,25)/t17-,27+/m0/s1.
What are the key properties of 2-[(R)-ethylsulfinyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]benzamide?
2-[(R)-ethylsulfinyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]benzamide has a molecular weight of 377.51 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-ethylsulfinyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]benzamide is sourced from PubChem (CID 39952272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).