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

C16H13ClN2O2S — CID 600993

IUPACN-(2-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1ccccc1Cl
InChIInChI=1S/C16H13ClN2O2S/c17-10-5-1-2-6-11(10)18-15(20)9-14-16(21)19-12-7-3-4-8-13(12)22-14/h1-8,14H,9H2,(H,18,20)(H,19,21)
InChIKeyPSTSWJHEFVJBSU-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.78
Rot. Bonds3

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

N-(2-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 600993) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID600993
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC NameN-(2-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1ccccc1Cl
InChIInChI=1S/C16H13ClN2O2S/c17-10-5-1-2-6-11(10)18-15(20)9-14-16(21)19-12-7-3-4-8-13(12)22-14/h1-8,14H,9H2,(H,18,20)(H,19,21)
InChIKeyPSTSWJHEFVJBSU-UHFFFAOYSA-N
XLogP3.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 600993) is N-(2-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is O=C(CC1Sc2ccccc2NC1=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is PSTSWJHEFVJBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c17-10-5-1-2-6-11(10)18-15(20)9-14-16(21)19-12-7-3-4-8-13(12)22-14/h1-8,14H,9H2,(H,18,20)(H,19,21).
What are the key properties of N-(2-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-(2-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 332.81 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 600993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).