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

C15H18N2O2S — CID 3237484

IUPACN-cyclopentyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)NC1CCCC1
InChIInChI=1S/C15H18N2O2S/c18-14(16-11-5-1-2-6-11)9-17-12-7-3-4-8-13(12)20-10-15(17)19/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,18)
InChIKeyJPNJYOMFIVRNGE-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.18
Rot. Bonds3

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

N-cyclopentyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 3237484) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID3237484
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-cyclopentyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)NC1CCCC1
InChIInChI=1S/C15H18N2O2S/c18-14(16-11-5-1-2-6-11)9-17-12-7-3-4-8-13(12)20-10-15(17)19/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,18)
InChIKeyJPNJYOMFIVRNGE-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 3237484) is N-cyclopentyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is O=C(CN1C(=O)CSc2ccccc21)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is JPNJYOMFIVRNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-14(16-11-5-1-2-6-11)9-17-12-7-3-4-8-13(12)20-10-15(17)19/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,18).
What are the key properties of N-cyclopentyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-cyclopentyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 3237484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).