4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-fluorophenyl)benzamide

C23H23FN2O3S — CID 53288058

IUPAC4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-fluorophenyl)benzamide
SMILESCc1cccc(C)c1N(Cc1ccc(C(=O)Nc2ccccc2F)cc1)S(C)(=O)=O
InChIInChI=1S/C23H23FN2O3S/c1-16-7-6-8-17(2)22(16)26(30(3,28)29)15-18-11-13-19(14-12-18)23(27)25-21-10-5-4-9-20(21)24/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyNRDBXQXPIAAJQJ-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.66
Rot. Bonds6

About 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-fluorophenyl)benzamide

4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-fluorophenyl)benzamide (PubChem CID 53288058) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-fluorophenyl)benzamide
PubChem CID53288058
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-fluorophenyl)benzamide
SMILESCc1cccc(C)c1N(Cc1ccc(C(=O)Nc2ccccc2F)cc1)S(C)(=O)=O
InChIInChI=1S/C23H23FN2O3S/c1-16-7-6-8-17(2)22(16)26(30(3,28)29)15-18-11-13-19(14-12-18)23(27)25-21-10-5-4-9-20(21)24/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyNRDBXQXPIAAJQJ-UHFFFAOYSA-N
XLogP4.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 100600620
N-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 100524131
methyl 4-chloro-3-[[4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate
CID 100731085
N-(3-chloro-4-methylphenyl)-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 100587658
2-[[4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 125057642
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide
CID 53287988
N-(2,6-difluorophenyl)-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 2206398
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1290601
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide
CID 982641
N-(3-chloro-2-methylphenyl)-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1357728
4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 109061758
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 125058669

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-fluorophenyl)benzamide?
The IUPAC name of 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-fluorophenyl)benzamide (CID 53288058) is 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-fluorophenyl)benzamide.
What is the SMILES notation for 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-fluorophenyl)benzamide?
The canonical SMILES for 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-fluorophenyl)benzamide is Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2ccccc2F)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-fluorophenyl)benzamide?
The InChIKey is NRDBXQXPIAAJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-16-7-6-8-17(2)22(16)26(30(3,28)29)15-18-11-13-19(14-12-18)23(27)25-21-10-5-4-9-20(21)24/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-fluorophenyl)benzamide?
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-fluorophenyl)benzamide has a molecular weight of 426.51 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-fluorophenyl)benzamide is sourced from PubChem (CID 53288058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).