2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide

C18H20N2O6S — CID 110412866

IUPAC2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCO2
InChIInChI=1S/C18H20N2O6S/c1-24-15-5-4-6-16(25-2)17(15)18(21)19-12-7-8-14-13(11-12)20(9-10-26-14)27(3,22)23/h4-8,11H,9-10H2,1-3H3,(H,19,21)
InChIKeySJSNRADAXQLYJW-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.11
Rot. Bonds5

About 2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide

2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide (PubChem CID 110412866) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
PubChem CID110412866
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCO2
InChIInChI=1S/C18H20N2O6S/c1-24-15-5-4-6-16(25-2)17(15)18(21)19-12-7-8-14-13(11-12)20(9-10-26-14)27(3,22)23/h4-8,11H,9-10H2,1-3H3,(H,19,21)
InChIKeySJSNRADAXQLYJW-UHFFFAOYSA-N
XLogP2.11
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide (CID 110412866) is 2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide is COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCO2.
What is the InChIKey of 2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide?
The InChIKey is SJSNRADAXQLYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-24-15-5-4-6-16(25-2)17(15)18(21)19-12-7-8-14-13(11-12)20(9-10-26-14)27(3,22)23/h4-8,11H,9-10H2,1-3H3,(H,19,21).
What are the key properties of 2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide?
2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide has a molecular weight of 392.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide is sourced from PubChem (CID 110412866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).