3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide

C20H18N2O3S — CID 110619955

IUPAC3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)c2ccccc2)c1
InChIInChI=1S/C20H18N2O3S/c1-26(24,25)19-11-5-8-17(13-19)20(23)22(18-9-3-2-4-10-18)15-16-7-6-12-21-14-16/h2-14H,15H2,1H3
InChIKeyWBAFFHXKOYFNCC-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.33
Rot. Bonds5

About 3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide

3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 110619955) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID110619955
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)c2ccccc2)c1
InChIInChI=1S/C20H18N2O3S/c1-26(24,25)19-11-5-8-17(13-19)20(23)22(18-9-3-2-4-10-18)15-16-7-6-12-21-14-16/h2-14H,15H2,1H3
InChIKeyWBAFFHXKOYFNCC-UHFFFAOYSA-N
XLogP3.33
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 39738224
N-ethyl-N-phenyl-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109064866
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 41319505
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360828
N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811
N-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360894
3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 110360522
3-(benzenesulfonamido)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86976169
ethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate
CID 19631305
3-(benzenesulfonamidomethyl)-N-methyl-N-pyridin-3-ylbenzamide
CID 50914019
3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360476

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide (CID 110619955) is 3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide is CS(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)c2ccccc2)c1.
What is the InChIKey of 3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is WBAFFHXKOYFNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-26(24,25)19-11-5-8-17(13-19)20(23)22(18-9-3-2-4-10-18)15-16-7-6-12-21-14-16/h2-14H,15H2,1H3.
What are the key properties of 3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide?
3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 366.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 110619955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).