N-(2,2-diphenylethyl)-4-methylsulfinylbenzamide

C22H21NO2S — CID 51185162

IUPACN-(2,2-diphenylethyl)-4-methylsulfinylbenzamide
SMILESCS(=O)c1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21NO2S/c1-26(25)20-14-12-19(13-15-20)22(24)23-16-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21H,16H2,1H3,(H,23,24)
InChIKeyCTDWYVVQITXGTA-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.99
Rot. Bonds6

About N-(2,2-diphenylethyl)-4-methylsulfinylbenzamide

N-(2,2-diphenylethyl)-4-methylsulfinylbenzamide (PubChem CID 51185162) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-4-methylsulfinylbenzamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-4-methylsulfinylbenzamide
PubChem CID51185162
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC NameN-(2,2-diphenylethyl)-4-methylsulfinylbenzamide
SMILESCS(=O)c1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21NO2S/c1-26(25)20-14-12-19(13-15-20)22(24)23-16-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21H,16H2,1H3,(H,23,24)
InChIKeyCTDWYVVQITXGTA-UHFFFAOYSA-N
XLogP3.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(2,2-diphenylethyl)benzene-1,4-dicarboxamide
CID 30870123
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide
CID 86930265
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 26795770
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide
CID 86821054
N-[4-(2,2-diphenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 9450262
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
N-(2-sulfonylethyl)benzamide
CID 151291647

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-4-methylsulfinylbenzamide?
The IUPAC name of N-(2,2-diphenylethyl)-4-methylsulfinylbenzamide (CID 51185162) is N-(2,2-diphenylethyl)-4-methylsulfinylbenzamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-4-methylsulfinylbenzamide?
The canonical SMILES for N-(2,2-diphenylethyl)-4-methylsulfinylbenzamide is CS(=O)c1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(2,2-diphenylethyl)-4-methylsulfinylbenzamide?
The InChIKey is CTDWYVVQITXGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-26(25)20-14-12-19(13-15-20)22(24)23-16-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21H,16H2,1H3,(H,23,24).
What are the key properties of N-(2,2-diphenylethyl)-4-methylsulfinylbenzamide?
N-(2,2-diphenylethyl)-4-methylsulfinylbenzamide has a molecular weight of 363.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-4-methylsulfinylbenzamide is sourced from PubChem (CID 51185162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).