5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide

C21H22N4O6S2 — CID 20816860

IUPAC5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide
SMILESCS(=O)(=O)c1ccccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
InChIInChI=1S/C21H22N4O6S2/c1-32(28,29)16-9-3-2-7-14(16)13-23-21(27)18-19(26)17-15(8-6-10-22-17)20(24-18)25-11-4-5-12-33(25,30)31/h2-3,6-10,26H,4-5,11-13H2,1H3,(H,23,27)
InChIKeyIDXGHBLTBQPCGM-UHFFFAOYSA-N
MW490.56 g/mol
LogP1.60
Rot. Bonds5

About 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide

5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide (PubChem CID 20816860) has the molecular formula C21H22N4O6S2 and a molecular weight of 490.56 g/mol. Its IUPAC name is 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide
PubChem CID20816860
Molecular FormulaC21H22N4O6S2
Molecular Weight490.56 g/mol
Exact Mass490.10
IUPAC Name5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide
SMILESCS(=O)(=O)c1ccccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
InChIInChI=1S/C21H22N4O6S2/c1-32(28,29)16-9-3-2-7-14(16)13-23-21(27)18-19(26)17-15(8-6-10-22-17)20(24-18)25-11-4-5-12-33(25,30)31/h2-3,6-10,26H,4-5,11-13H2,1H3,(H,23,27)
InChIKeyIDXGHBLTBQPCGM-UHFFFAOYSA-N
XLogP1.60
TPSA146.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide (CID 20816860) is 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide is CS(=O)(=O)c1ccccc1CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O.
What is the InChIKey of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide?
The InChIKey is IDXGHBLTBQPCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O6S2/c1-32(28,29)16-9-3-2-7-14(16)13-23-21(27)18-19(26)17-15(8-6-10-22-17)20(24-18)25-11-4-5-12-33(25,30)31/h2-3,6-10,26H,4-5,11-13H2,1H3,(H,23,27).
What are the key properties of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide?
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 20816860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).