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

C24H21N3O2S — CID 38749341

IUPACN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C24H21N3O2S/c28-23(15-27-21-11-5-6-12-22(21)30-16-24(27)29)25-18-8-2-4-10-20(18)26-14-13-17-7-1-3-9-19(17)26/h1-12H,13-16H2,(H,25,28)
InChIKeyGZNFKMPGZKDMGW-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.46
Rot. Bonds4

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

N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 38749341) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID38749341
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C24H21N3O2S/c28-23(15-27-21-11-5-6-12-22(21)30-16-24(27)29)25-18-8-2-4-10-20(18)26-14-13-17-7-1-3-9-19(17)26/h1-12H,13-16H2,(H,25,28)
InChIKeyGZNFKMPGZKDMGW-UHFFFAOYSA-N
XLogP4.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 38749341) is N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is O=C(CN1C(=O)CSc2ccccc21)Nc1ccccc1N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is GZNFKMPGZKDMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c28-23(15-27-21-11-5-6-12-22(21)30-16-24(27)29)25-18-8-2-4-10-20(18)26-14-13-17-7-1-3-9-19(17)26/h1-12H,13-16H2,(H,25,28).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 415.52 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 38749341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).