N-(7-chloro-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide

C18H15ClN2O2S — CID 71681054

IUPACN-(7-chloro-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1nc2cc(Cl)ccc2c(=O)s1
InChIInChI=1S/C18H15ClN2O2S/c19-13-9-10-14-15(11-13)20-18(24-17(14)23)21-16(22)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,20,21,22)
InChIKeyFWNYCNZFSIUYOA-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.27
Rot. Bonds5

About N-(7-chloro-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide

N-(7-chloro-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide (PubChem CID 71681054) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is N-(7-chloro-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(7-chloro-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
PubChem CID71681054
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC NameN-(7-chloro-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1nc2cc(Cl)ccc2c(=O)s1
InChIInChI=1S/C18H15ClN2O2S/c19-13-9-10-14-15(11-13)20-18(24-17(14)23)21-16(22)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,20,21,22)
InChIKeyFWNYCNZFSIUYOA-UHFFFAOYSA-N
XLogP4.27
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
The IUPAC name of N-(7-chloro-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide (CID 71681054) is N-(7-chloro-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(7-chloro-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
The canonical SMILES for N-(7-chloro-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1nc2cc(Cl)ccc2c(=O)s1.
What is the InChIKey of N-(7-chloro-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
The InChIKey is FWNYCNZFSIUYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c19-13-9-10-14-15(11-13)20-18(24-17(14)23)21-16(22)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,20,21,22).
What are the key properties of N-(7-chloro-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
N-(7-chloro-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide has a molecular weight of 358.85 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide is sourced from PubChem (CID 71681054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).