4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(pyridin-2-ylmethyl)benzamide

C23H25N3O3S — CID 53287622

IUPAC4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(C)c(N(Cc2ccc(C(=O)NCc3ccccn3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H25N3O3S/c1-17-7-8-18(2)22(14-17)26(30(3,28)29)16-19-9-11-20(12-10-19)23(27)25-15-21-6-4-5-13-24-21/h4-14H,15-16H2,1-3H3,(H,25,27)
InChIKeyFWQYHHUUEGYKBX-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.59
Rot. Bonds7

About 4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(pyridin-2-ylmethyl)benzamide

4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 53287622) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID53287622
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(C)c(N(Cc2ccc(C(=O)NCc3ccccn3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H25N3O3S/c1-17-7-8-18(2)22(14-17)26(30(3,28)29)16-19-9-11-20(12-10-19)23(27)25-15-21-6-4-5-13-24-21/h4-14H,15-16H2,1-3H3,(H,25,27)
InChIKeyFWQYHHUUEGYKBX-UHFFFAOYSA-N
XLogP3.59
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 53287986
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53287790
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(2-methoxyphenyl)benzamide
CID 53287919
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 100571603
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 53283208
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 125071446
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 125058712
2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 30150724
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(4-ethoxyphenyl)benzamide
CID 53287885
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 125081962
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 53287557
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 133210617

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(pyridin-2-ylmethyl)benzamide (CID 53287622) is 4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(pyridin-2-ylmethyl)benzamide is Cc1ccc(C)c(N(Cc2ccc(C(=O)NCc3ccccn3)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is FWQYHHUUEGYKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-17-7-8-18(2)22(14-17)26(30(3,28)29)16-19-9-11-20(12-10-19)23(27)25-15-21-6-4-5-13-24-21/h4-14H,15-16H2,1-3H3,(H,25,27).
What are the key properties of 4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(pyridin-2-ylmethyl)benzamide?
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 423.54 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 53287622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).