2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide

C23H25N3O5S — CID 30150724

IUPAC2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCc2ccccn2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C23H25N3O5S/c1-30-21-13-19(23(27)25-15-18-11-7-8-12-24-18)20(14-22(21)31-2)26(32(3,28)29)16-17-9-5-4-6-10-17/h4-14H,15-16H2,1-3H3,(H,25,27)
InChIKeyLLOOQWJGVKJUBY-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.99
Rot. Bonds9

About 2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide

2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 30150724) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID30150724
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCc2ccccn2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C23H25N3O5S/c1-30-21-13-19(23(27)25-15-18-11-7-8-12-24-18)20(14-22(21)31-2)26(32(3,28)29)16-17-9-5-4-6-10-17/h4-14H,15-16H2,1-3H3,(H,25,27)
InChIKeyLLOOQWJGVKJUBY-UHFFFAOYSA-N
XLogP2.99
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 30150736
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 30149815
N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30151119
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 30151461
2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzamide
CID 30151241
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 53287622
2,5-dimethoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110763244
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 30151398
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethoxyphenyl)-4,5-dimethoxybenzamide
CID 30151606
2-[benzyl(methylsulfonyl)amino]-N-[(1S)-1-(3-bromophenyl)ethyl]-4,5-dimethoxybenzamide
CID 94863060
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 1107755
5-acetamido-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110764476

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide (CID 30150724) is 2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide is COc1cc(C(=O)NCc2ccccn2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is LLOOQWJGVKJUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-30-21-13-19(23(27)25-15-18-11-7-8-12-24-18)20(14-22(21)31-2)26(32(3,28)29)16-17-9-5-4-6-10-17/h4-14H,15-16H2,1-3H3,(H,25,27).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide?
2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 455.54 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 30150724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).