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

C23H24N2O3S — CID 39738224

IUPACN-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C23H24N2O3S/c1-3-18-9-11-19(12-10-18)16-25(17-20-6-5-13-24-15-20)23(26)21-7-4-8-22(14-21)29(2,27)28/h4-15H,3,16-17H2,1-2H3
InChIKeyXZDRJXVXDKQATK-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.89
Rot. Bonds7

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

N-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 39738224) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID39738224
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C23H24N2O3S/c1-3-18-9-11-19(12-10-18)16-25(17-20-6-5-13-24-15-20)23(26)21-7-4-8-22(14-21)29(2,27)28/h4-15H,3,16-17H2,1-2H3
InChIKeyXZDRJXVXDKQATK-UHFFFAOYSA-N
XLogP3.89
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 110619955
N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide
CID 75426702
2-(difluoromethyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 56563721
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
N-[(2-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 55983221
3-(azepan-1-ylsulfonyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55981939
3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55818997
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 41319505
ethyl 3-[(4-chlorophenyl)-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 60611098
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 42248306
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 168853807

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide (CID 39738224) is N-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide is CCc1ccc(CN(Cc2cccnc2)C(=O)c2cccc(S(C)(=O)=O)c2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is XZDRJXVXDKQATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-3-18-9-11-19(12-10-18)16-25(17-20-6-5-13-24-15-20)23(26)21-7-4-8-22(14-21)29(2,27)28/h4-15H,3,16-17H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
N-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 408.52 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 39738224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).