N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-phenoxybenzamide

C21H20N2O6S — CID 3461625

IUPACN-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-phenoxybenzamide
SMILESCOc1ccc(N(C(=O)c2cccc(Oc3ccccc3)c2)S(C)(=O)=O)c(OC)n1
InChIInChI=1S/C21H20N2O6S/c1-27-19-13-12-18(20(22-19)28-2)23(30(3,25)26)21(24)15-8-7-11-17(14-15)29-16-9-5-4-6-10-16/h4-14H,1-3H3
InChIKeyPSAXVNRJIMUKOX-UHFFFAOYSA-N
MW428.47 g/mol
LogP3.50
Rot. Bonds7

About N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-phenoxybenzamide

N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-phenoxybenzamide (PubChem CID 3461625) has the molecular formula C21H20N2O6S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-phenoxybenzamide.

Molecular Properties

Compound NameN-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-phenoxybenzamide
PubChem CID3461625
Molecular FormulaC21H20N2O6S
Molecular Weight428.47 g/mol
Exact Mass428.10
IUPAC NameN-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-phenoxybenzamide
SMILESCOc1ccc(N(C(=O)c2cccc(Oc3ccccc3)c2)S(C)(=O)=O)c(OC)n1
InChIInChI=1S/C21H20N2O6S/c1-27-19-13-12-18(20(22-19)28-2)23(30(3,25)26)21(24)15-8-7-11-17(14-15)29-16-9-5-4-6-10-16/h4-14H,1-3H3
InChIKeyPSAXVNRJIMUKOX-UHFFFAOYSA-N
XLogP3.50
TPSA95.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-phenoxybenzamide?
The IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-phenoxybenzamide (CID 3461625) is N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-phenoxybenzamide.
What is the SMILES notation for N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-phenoxybenzamide?
The canonical SMILES for N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-phenoxybenzamide is COc1ccc(N(C(=O)c2cccc(Oc3ccccc3)c2)S(C)(=O)=O)c(OC)n1.
What is the InChIKey of N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-phenoxybenzamide?
The InChIKey is PSAXVNRJIMUKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6S/c1-27-19-13-12-18(20(22-19)28-2)23(30(3,25)26)21(24)15-8-7-11-17(14-15)29-16-9-5-4-6-10-16/h4-14H,1-3H3.
What are the key properties of N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-phenoxybenzamide?
N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-phenoxybenzamide has a molecular weight of 428.47 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-3-phenoxybenzamide is sourced from PubChem (CID 3461625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).