N-(1-adamantyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C20H24N2O2S — CID 51147333

IUPACN-(1-adamantyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCC1Sc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2NC1=O
InChIInChI=1S/C20H24N2O2S/c1-11-18(23)21-16-7-15(2-3-17(16)25-11)19(24)22-20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyIKJAJWAMCZGALO-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.82
Rot. Bonds2

About N-(1-adamantyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-(1-adamantyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 51147333) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-(1-adamantyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID51147333
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-(1-adamantyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCC1Sc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2NC1=O
InChIInChI=1S/C20H24N2O2S/c1-11-18(23)21-16-7-15(2-3-17(16)25-11)19(24)22-20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyIKJAJWAMCZGALO-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 51147333) is N-(1-adamantyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CC1Sc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2NC1=O.
What is the InChIKey of N-(1-adamantyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is IKJAJWAMCZGALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-11-18(23)21-16-7-15(2-3-17(16)25-11)19(24)22-20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(1-adamantyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-(1-adamantyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 51147333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).