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N-cyclohexyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide

C18H24N2O2S — CID 3690577

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-cyclohexyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCCC1Sc2ccccc2N(CC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C18H24N2O2S/c1-2-15-18(22)20(14-10-6-7-11-16(14)23-15)12-17(21)19-13-8-4-3-5-9-13/h6-7,10-11,13,15H,2-5,8-9,12H2,1H3,(H,19,21)
InChIKeyMGRCWWCFGNIWPP-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.35
Rot. Bonds4

About N-cyclohexyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide

N-cyclohexyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 3690577) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID3690577
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-cyclohexyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCCC1Sc2ccccc2N(CC(=O)NC2CCCCC2)C1=O
InChIInChI=1S/C18H24N2O2S/c1-2-15-18(22)20(14-10-6-7-11-16(14)23-15)12-17(21)19-13-8-4-3-5-9-13/h6-7,10-11,13,15H,2-5,8-9,12H2,1H3,(H,19,21)
InChIKeyMGRCWWCFGNIWPP-UHFFFAOYSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 3690577) is N-cyclohexyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide is CCC1Sc2ccccc2N(CC(=O)NC2CCCCC2)C1=O.
What is the InChIKey of N-cyclohexyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is MGRCWWCFGNIWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-2-15-18(22)20(14-10-6-7-11-16(14)23-15)12-17(21)19-13-8-4-3-5-9-13/h6-7,10-11,13,15H,2-5,8-9,12H2,1H3,(H,19,21).
What are the key properties of N-cyclohexyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-cyclohexyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 332.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-ethyl-3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 3690577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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