2-[benzyl(methylsulfonyl)amino]-N-(2,5-dimethoxyphenyl)benzamide

C23H24N2O5S — CID 1280585

IUPAC2-[benzyl(methylsulfonyl)amino]-N-(2,5-dimethoxyphenyl)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H24N2O5S/c1-29-18-13-14-22(30-2)20(15-18)24-23(26)19-11-7-8-12-21(19)25(31(3,27)28)16-17-9-5-4-6-10-17/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyZQTZYEVUPOEHDJ-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.92
Rot. Bonds8

About 2-[benzyl(methylsulfonyl)amino]-N-(2,5-dimethoxyphenyl)benzamide

2-[benzyl(methylsulfonyl)amino]-N-(2,5-dimethoxyphenyl)benzamide (PubChem CID 1280585) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-(2,5-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-(2,5-dimethoxyphenyl)benzamide
PubChem CID1280585
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-(2,5-dimethoxyphenyl)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C23H24N2O5S/c1-29-18-13-14-22(30-2)20(15-18)24-23(26)19-11-7-8-12-21(19)25(31(3,27)28)16-17-9-5-4-6-10-17/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyZQTZYEVUPOEHDJ-UHFFFAOYSA-N
XLogP3.92
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(2,5-dimethoxyphenyl)benzamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(2,5-dimethoxyphenyl)benzamide (CID 1280585) is 2-[benzyl(methylsulfonyl)amino]-N-(2,5-dimethoxyphenyl)benzamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-(2,5-dimethoxyphenyl)benzamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-(2,5-dimethoxyphenyl)benzamide is COc1ccc(OC)c(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-(2,5-dimethoxyphenyl)benzamide?
The InChIKey is ZQTZYEVUPOEHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-29-18-13-14-22(30-2)20(15-18)24-23(26)19-11-7-8-12-21(19)25(31(3,27)28)16-17-9-5-4-6-10-17/h4-15H,16H2,1-3H3,(H,24,26).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-(2,5-dimethoxyphenyl)benzamide?
2-[benzyl(methylsulfonyl)amino]-N-(2,5-dimethoxyphenyl)benzamide has a molecular weight of 440.52 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-(2,5-dimethoxyphenyl)benzamide is sourced from PubChem (CID 1280585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).