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

C18H24N2O2S — CID 46087527

IUPACN-cyclohexyl-N-ethyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCCN(C(=O)CC1Sc2ccccc2NC1=O)C1CCCCC1
InChIInChI=1S/C18H24N2O2S/c1-2-20(13-8-4-3-5-9-13)17(21)12-16-18(22)19-14-10-6-7-11-15(14)23-16/h6-7,10-11,13,16H,2-5,8-9,12H2,1H3,(H,19,22)
InChIKeyUDIAPJZPCNRWCT-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.67
Rot. Bonds4

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

N-cyclohexyl-N-ethyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 46087527) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID46087527
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-cyclohexyl-N-ethyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCCN(C(=O)CC1Sc2ccccc2NC1=O)C1CCCCC1
InChIInChI=1S/C18H24N2O2S/c1-2-20(13-8-4-3-5-9-13)17(21)12-16-18(22)19-14-10-6-7-11-15(14)23-16/h6-7,10-11,13,16H,2-5,8-9,12H2,1H3,(H,19,22)
InChIKeyUDIAPJZPCNRWCT-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 95580312
[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7607996
N-cyclopropyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 52513379
N-[(1R,2R)-2-methylcyclohexyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 7329319
N-[(1R,2S)-2-methylcyclohexyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 7329320
N-ethyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 94812644
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 693708
[2-(cyclohexylamino)-2-oxoethyl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 2622214
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-piperidin-1-ylacetamide
CID 9271504
methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 718690
N-cyclopropyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9165627

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 46087527) is N-cyclohexyl-N-ethyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is CCN(C(=O)CC1Sc2ccccc2NC1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is UDIAPJZPCNRWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-2-20(13-8-4-3-5-9-13)17(21)12-16-18(22)19-14-10-6-7-11-15(14)23-16/h6-7,10-11,13,16H,2-5,8-9,12H2,1H3,(H,19,22).
What are the key properties of N-cyclohexyl-N-ethyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-cyclohexyl-N-ethyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 332.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 46087527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).