2-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-ethoxyphenyl)acetamide

C18H17ClN2O3S — CID 23994290

IUPAC2-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CC1Sc2cc(Cl)ccc2NC1=O
InChIInChI=1S/C18H17ClN2O3S/c1-2-24-14-6-4-3-5-12(14)20-17(22)10-16-18(23)21-13-8-7-11(19)9-15(13)25-16/h3-9,16H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyAVXQUKDSACUSQI-UHFFFAOYSA-N
MW376.87 g/mol
LogP4.18
Rot. Bonds5

About 2-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-ethoxyphenyl)acetamide

2-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-ethoxyphenyl)acetamide (PubChem CID 23994290) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is 2-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-ethoxyphenyl)acetamide
PubChem CID23994290
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC Name2-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CC1Sc2cc(Cl)ccc2NC1=O
InChIInChI=1S/C18H17ClN2O3S/c1-2-24-14-6-4-3-5-12(14)20-17(22)10-16-18(23)21-13-8-7-11(19)9-15(13)25-16/h3-9,16H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyAVXQUKDSACUSQI-UHFFFAOYSA-N
XLogP4.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020279
N-(2-ethoxyphenyl)-3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide
CID 126459538
ethyl 2-[[2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
CID 1188525
ethyl 2-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate
CID 2918421
2-[(2R)-7-ethoxy-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(2-nitrophenyl)acetamide
CID 7454627
N-(4-chloro-2-fluorophenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9211540
2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-(2-propoxyphenyl)acetamide
CID 2856384
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1080513
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 26877317
2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide
CID 23905261
N-(2-ethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 701747
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 7347926

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-ethoxyphenyl)acetamide (CID 23994290) is 2-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CC1Sc2cc(Cl)ccc2NC1=O.
What is the InChIKey of 2-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-ethoxyphenyl)acetamide?
The InChIKey is AVXQUKDSACUSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-2-24-14-6-4-3-5-12(14)20-17(22)10-16-18(23)21-13-8-7-11(19)9-15(13)25-16/h3-9,16H,2,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-ethoxyphenyl)acetamide?
2-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-ethoxyphenyl)acetamide has a molecular weight of 376.87 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 23994290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).