N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide

C23H23NO3S — CID 26177688

IUPACN-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide
SMILESCc1ccc([C@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)cc1C
InChIInChI=1S/C23H23NO3S/c1-16-9-10-20(15-17(16)2)22(18-7-5-4-6-8-18)24-23(25)19-11-13-21(14-12-19)28(3,26)27/h4-15,22H,1-3H3,(H,24,25)/t22-/m1/s1
InChIKeyTUZJGHMVKLEOFG-JOCHJYFZSA-N
MW393.51 g/mol
LogP4.23
Rot. Bonds5

About N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide

N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide (PubChem CID 26177688) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide
PubChem CID26177688
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC NameN-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide
SMILESCc1ccc([C@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)cc1C
InChIInChI=1S/C23H23NO3S/c1-16-9-10-20(15-17(16)2)22(18-7-5-4-6-8-18)24-23(25)19-11-13-21(14-12-19)28(3,26)27/h4-15,22H,1-3H3,(H,24,25)/t22-/m1/s1
InChIKeyTUZJGHMVKLEOFG-JOCHJYFZSA-N
XLogP4.23
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide
CID 26177693
N-benzhydryl-2-methyl-5-methylsulfonylbenzamide
CID 27254371
4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46564732
1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 43480214
N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 43010004
3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 133161748
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 43909814
3-bromo-N-[[3-(dimethylamino)phenyl]-(4-methylsulfonylphenyl)methyl]benzamide
CID 44765435
4-methylsulfonyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]benzamide
CID 52652803

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide (CID 26177688) is N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide is Cc1ccc([C@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)cc1C.
What is the InChIKey of N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide?
The InChIKey is TUZJGHMVKLEOFG-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-16-9-10-20(15-17(16)2)22(18-7-5-4-6-8-18)24-23(25)19-11-13-21(14-12-19)28(3,26)27/h4-15,22H,1-3H3,(H,24,25)/t22-/m1/s1.
What are the key properties of N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide?
N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide has a molecular weight of 393.51 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 26177688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).