N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

C17H15ClN2O2S — CID 706482

IUPACN-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C17H15ClN2O2S/c1-10-11(18)5-4-7-12(10)19-16(21)9-15-17(22)20-13-6-2-3-8-14(13)23-15/h2-8,15H,9H2,1H3,(H,19,21)(H,20,22)/t15-/m1/s1
InChIKeyINZRHQMESLKTEV-OAHLLOKOSA-N
MW346.84 g/mol
LogP4.09
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 706482) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
PubChem CID706482
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C17H15ClN2O2S/c1-10-11(18)5-4-7-12(10)19-16(21)9-15-17(22)20-13-6-2-3-8-14(13)23-15/h2-8,15H,9H2,1H3,(H,19,21)(H,20,22)/t15-/m1/s1
InChIKeyINZRHQMESLKTEV-OAHLLOKOSA-N
XLogP4.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (CID 706482) is N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is Cc1c(Cl)cccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is INZRHQMESLKTEV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-10-11(18)5-4-7-12(10)19-16(21)9-15-17(22)20-13-6-2-3-8-14(13)23-15/h2-8,15H,9H2,1H3,(H,19,21)(H,20,22)/t15-/m1/s1.
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 346.84 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 706482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).