N-benzyl-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pyridin-2-ylpropanamide

C23H21N3O2S — CID 17480870

IUPACN-benzyl-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pyridin-2-ylpropanamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C23H21N3O2S/c27-22(13-15-25-19-10-4-5-11-20(19)29-17-23(25)28)26(21-12-6-7-14-24-21)16-18-8-2-1-3-9-18/h1-12,14H,13,15-17H2
InChIKeyCAWPSYQXTUSCQE-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.14
Rot. Bonds6

About N-benzyl-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pyridin-2-ylpropanamide

N-benzyl-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pyridin-2-ylpropanamide (PubChem CID 17480870) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-benzyl-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pyridin-2-ylpropanamide
PubChem CID17480870
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-benzyl-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pyridin-2-ylpropanamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C23H21N3O2S/c27-22(13-15-25-19-10-4-5-11-20(19)29-17-23(25)28)26(21-12-6-7-14-24-21)16-18-8-2-1-3-9-18/h1-12,14H,13,15-17H2
InChIKeyCAWPSYQXTUSCQE-UHFFFAOYSA-N
XLogP4.14
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pyridin-2-ylpropanamide?
The IUPAC name of N-benzyl-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pyridin-2-ylpropanamide (CID 17480870) is N-benzyl-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-benzyl-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-benzyl-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pyridin-2-ylpropanamide is O=C(CCN1C(=O)CSc2ccccc21)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pyridin-2-ylpropanamide?
The InChIKey is CAWPSYQXTUSCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c27-22(13-15-25-19-10-4-5-11-20(19)29-17-23(25)28)26(21-12-6-7-14-24-21)16-18-8-2-1-3-9-18/h1-12,14H,13,15-17H2.
What are the key properties of N-benzyl-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pyridin-2-ylpropanamide?
N-benzyl-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pyridin-2-ylpropanamide has a molecular weight of 403.51 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 17480870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).