4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide

C25H28N2O4S — CID 53287240

IUPAC4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C25H28N2O4S/c1-18-7-5-8-19(2)24(18)27(32(4,29)30)17-20-11-13-22(14-12-20)25(28)26-16-21-9-6-10-23(15-21)31-3/h5-15H,16-17H2,1-4H3,(H,26,28)
InChIKeyBNLXQEXCFYBEQA-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.21
Rot. Bonds8

About 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide

4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 53287240) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID53287240
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C25H28N2O4S/c1-18-7-5-8-19(2)24(18)27(32(4,29)30)17-20-11-13-22(14-12-20)25(28)26-16-21-9-6-10-23(15-21)31-3/h5-15H,16-17H2,1-4H3,(H,26,28)
InChIKeyBNLXQEXCFYBEQA-UHFFFAOYSA-N
XLogP4.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53280554
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53287790
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-prop-2-enylbenzamide
CID 53287988
N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1118173
4-[(3-methoxyphenyl)methyl-methylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 140515239
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 60873375
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
N-[(4-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126184390
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 125058669
N-[4-(dimethylcarbamoyl)phenyl]-4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 100524131
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide (CID 53287240) is 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c1.
What is the InChIKey of 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is BNLXQEXCFYBEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-18-7-5-8-19(2)24(18)27(32(4,29)30)17-20-11-13-22(14-12-20)25(28)26-16-21-9-6-10-23(15-21)31-3/h5-15H,16-17H2,1-4H3,(H,26,28).
What are the key properties of 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide?
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 452.58 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 53287240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).