4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide

C21H21N3O3S — CID 1107721

IUPAC4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)NCc2cccnc2)cc1)c1ccccc1
InChIInChI=1S/C21H21N3O3S/c1-28(26,27)24(20-7-3-2-4-8-20)16-17-9-11-19(12-10-17)21(25)23-15-18-6-5-13-22-14-18/h2-14H,15-16H2,1H3,(H,23,25)
InChIKeyFJLZNKXVCCIXHH-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.98
Rot. Bonds7

About 4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide

4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 1107721) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID1107721
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)NCc2cccnc2)cc1)c1ccccc1
InChIInChI=1S/C21H21N3O3S/c1-28(26,27)24(20-7-3-2-4-8-20)16-17-9-11-19(12-10-17)21(25)23-15-18-6-5-13-22-14-18/h2-14H,15-16H2,1H3,(H,23,25)
InChIKeyFJLZNKXVCCIXHH-UHFFFAOYSA-N
XLogP2.98
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1118173
4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4801676
4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 50945648
4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 53283224
N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1106193
N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1107707
4-[benzyl(methylsulfonyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43908963
4-[(N-methylsulfonylanilino)methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767156
4-[[N-(benzenesulfonyl)anilino]methyl]-N-benzylbenzamide
CID 1100953
4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide
CID 1295557
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-pyridin-3-ylbenzamide
CID 1298506
2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 30129310

Frequently Asked Questions

What is the IUPAC name of 4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide (CID 1107721) is 4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide is CS(=O)(=O)N(Cc1ccc(C(=O)NCc2cccnc2)cc1)c1ccccc1.
What is the InChIKey of 4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is FJLZNKXVCCIXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-28(26,27)24(20-7-3-2-4-8-20)16-17-9-11-19(12-10-17)21(25)23-15-18-6-5-13-22-14-18/h2-14H,15-16H2,1H3,(H,23,25).
What are the key properties of 4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide?
4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 1107721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).