N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide

C22H21NO3S — CID 9184686

IUPACN-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S/c1-17-12-14-19(15-13-17)22(24)23-16-21(18-8-4-2-5-9-18)27(25,26)20-10-6-3-7-11-20/h2-15,21H,16H2,1H3,(H,23,24)/t21-/m1/s1
InChIKeyTZJJETBSPRWMQQ-OAQYLSRUSA-N
MW379.48 g/mol
LogP3.94
Rot. Bonds6

About N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide

N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide (PubChem CID 9184686) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide
PubChem CID9184686
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC NameN-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S/c1-17-12-14-19(15-13-17)22(24)23-16-21(18-8-4-2-5-9-18)27(25,26)20-10-6-3-7-11-20/h2-15,21H,16H2,1H3,(H,23,24)/t21-/m1/s1
InChIKeyTZJJETBSPRWMQQ-OAQYLSRUSA-N
XLogP3.94
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide
CID 9184545
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide
CID 9159372
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide
CID 9185098
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide
CID 9153392
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
CID 9153775
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
CID 7268088

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide?
The IUPAC name of N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide (CID 9184686) is N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide.
What is the SMILES notation for N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide?
The canonical SMILES for N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide is Cc1ccc(C(=O)NC[C@H](c2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide?
The InChIKey is TZJJETBSPRWMQQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-17-12-14-19(15-13-17)22(24)23-16-21(18-8-4-2-5-9-18)27(25,26)20-10-6-3-7-11-20/h2-15,21H,16H2,1H3,(H,23,24)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide?
N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide has a molecular weight of 379.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide is sourced from PubChem (CID 9184686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).