N-ethyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide

C17H22N2O3S — CID 94812644

IUPACN-ethyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
SMILESCCN(C[C@H]1CCOC1)C(=O)C[C@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C17H22N2O3S/c1-2-19(10-12-7-8-22-11-12)16(20)9-15-17(21)18-13-5-3-4-6-14(13)23-15/h3-6,12,15H,2,7-11H2,1H3,(H,18,21)/t12-,15-/m1/s1
InChIKeyMBKLRLMMUQSDIN-IUODEOHRSA-N
MW334.44 g/mol
LogP2.37
Rot. Bonds5

About N-ethyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide

N-ethyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide (PubChem CID 94812644) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-ethyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
PubChem CID94812644
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-ethyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
SMILESCCN(C[C@H]1CCOC1)C(=O)C[C@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C17H22N2O3S/c1-2-19(10-12-7-8-22-11-12)16(20)9-15-17(21)18-13-5-3-4-6-14(13)23-15/h3-6,12,15H,2,7-11H2,1H3,(H,18,21)/t12-,15-/m1/s1
InChIKeyMBKLRLMMUQSDIN-IUODEOHRSA-N
XLogP2.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide with MolForge

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Related Compounds

N-cyclohexyl-N-ethyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 46087527
3-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125153450
3-[2-methylpropyl-[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanoic acid
CID 125148174
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
N-ethyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 60952807
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901310
2-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 75414740
2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 55843835
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 693708
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 95580312
methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 718690

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
The IUPAC name of N-ethyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide (CID 94812644) is N-ethyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide.
What is the SMILES notation for N-ethyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
The canonical SMILES for N-ethyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide is CCN(C[C@H]1CCOC1)C(=O)C[C@H]1Sc2ccccc2NC1=O.
What is the InChIKey of N-ethyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
The InChIKey is MBKLRLMMUQSDIN-IUODEOHRSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-2-19(10-12-7-8-22-11-12)16(20)9-15-17(21)18-13-5-3-4-6-14(13)23-15/h3-6,12,15H,2,7-11H2,1H3,(H,18,21)/t12-,15-/m1/s1.
What are the key properties of N-ethyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
N-ethyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide has a molecular weight of 334.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 94812644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).