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

C17H15ClN2O2S — CID 3563811

IUPACN-[(3-chlorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O2S/c18-12-5-3-4-11(8-12)10-19-16(21)9-15-17(22)20-13-6-1-2-7-14(13)23-15/h1-8,15H,9-10H2,(H,19,21)(H,20,22)
InChIKeyKEOUQFXDFDVBMR-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.46
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 3563811) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID3563811
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O2S/c18-12-5-3-4-11(8-12)10-19-16(21)9-15-17(22)20-13-6-1-2-7-14(13)23-15/h1-8,15H,9-10H2,(H,19,21)(H,20,22)
InChIKeyKEOUQFXDFDVBMR-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 3563811) is N-[(3-chlorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is O=C(CC1Sc2ccccc2NC1=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is KEOUQFXDFDVBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c18-12-5-3-4-11(8-12)10-19-16(21)9-15-17(22)20-13-6-1-2-7-14(13)23-15/h1-8,15H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-[(3-chlorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 346.84 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 3563811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).