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

C16H12Cl2N2O2S — CID 2945832

IUPACN-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl2N2O2S/c17-9-4-3-6-11(15(9)18)19-14(21)8-13-16(22)20-10-5-1-2-7-12(10)23-13/h1-7,13H,8H2,(H,19,21)(H,20,22)
InChIKeyLEEYKYYOPIJDAN-UHFFFAOYSA-N
MW367.26 g/mol
LogP4.43
Rot. Bonds3

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

N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 2945832) has the molecular formula C16H12Cl2N2O2S and a molecular weight of 367.26 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID2945832
Molecular FormulaC16H12Cl2N2O2S
Molecular Weight367.26 g/mol
Exact Mass366.00
IUPAC NameN-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl2N2O2S/c17-9-4-3-6-11(15(9)18)19-14(21)8-13-16(22)20-10-5-1-2-7-12(10)23-13/h1-7,13H,8H2,(H,19,21)(H,20,22)
InChIKeyLEEYKYYOPIJDAN-UHFFFAOYSA-N
XLogP4.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9146240
N-(2-ethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 701747
N-(4-chloro-2-fluorophenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9211540
N-(3,5-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2936875
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2852355
[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino] 2-chlorobenzoate
CID 6976517
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 26877317
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1080513
2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
CID 135692285
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9409919
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 3147420
methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
CID 2242136

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 2945832) is N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is O=C(CC1Sc2ccccc2NC1=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is LEEYKYYOPIJDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2S/c17-9-4-3-6-11(15(9)18)19-14(21)8-13-16(22)20-10-5-1-2-7-12(10)23-13/h1-7,13H,8H2,(H,19,21)(H,20,22).
What are the key properties of N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 367.26 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 2945832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).