N-[4-(4-oxo-1,3-benzothiazin-2-yl)phenyl]acetamide

C16H12N2O2S — CID 10447270

IUPACN-[4-(4-oxo-1,3-benzothiazin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(=O)c3ccccc3s2)cc1
InChIInChI=1S/C16H12N2O2S/c1-10(19)17-12-8-6-11(7-9-12)16-18-15(20)13-4-2-3-5-14(13)21-16/h2-9H,1H3,(H,17,19)
InChIKeyCRCMKEWQPAOZFY-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.28
Rot. Bonds2

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

N-[4-(4-oxo-1,3-benzothiazin-2-yl)phenyl]acetamide (PubChem CID 10447270) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[4-(4-oxo-1,3-benzothiazin-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-oxo-1,3-benzothiazin-2-yl)phenyl]acetamide
PubChem CID10447270
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC NameN-[4-(4-oxo-1,3-benzothiazin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(=O)c3ccccc3s2)cc1
InChIInChI=1S/C16H12N2O2S/c1-10(19)17-12-8-6-11(7-9-12)16-18-15(20)13-4-2-3-5-14(13)21-16/h2-9H,1H3,(H,17,19)
InChIKeyCRCMKEWQPAOZFY-UHFFFAOYSA-N
XLogP3.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxo-1,3-benzothiazin-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(4-oxo-1,3-benzothiazin-2-yl)phenyl]acetamide (CID 10447270) is N-[4-(4-oxo-1,3-benzothiazin-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-oxo-1,3-benzothiazin-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-oxo-1,3-benzothiazin-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nc(=O)c3ccccc3s2)cc1.
What is the InChIKey of N-[4-(4-oxo-1,3-benzothiazin-2-yl)phenyl]acetamide?
The InChIKey is CRCMKEWQPAOZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c1-10(19)17-12-8-6-11(7-9-12)16-18-15(20)13-4-2-3-5-14(13)21-16/h2-9H,1H3,(H,17,19).
What are the key properties of N-[4-(4-oxo-1,3-benzothiazin-2-yl)phenyl]acetamide?
N-[4-(4-oxo-1,3-benzothiazin-2-yl)phenyl]acetamide has a molecular weight of 296.35 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxo-1,3-benzothiazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 10447270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).