N-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-2-morpholin-4-yl-2-oxoacetamide

C22H19N3O3S — CID 159828981

IUPACN-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-2-morpholin-4-yl-2-oxoacetamide
SMILESO=C(Nc1cc2c(c(-c3cc4ccccc4s3)c1)CN=C2)C(=O)N1CCOCC1
InChIInChI=1S/C22H19N3O3S/c26-21(22(27)25-5-7-28-8-6-25)24-16-9-15-12-23-13-18(15)17(11-16)20-10-14-3-1-2-4-19(14)29-20/h1-4,9-12H,5-8,13H2,(H,24,26)
InChIKeyNNFCVFINHYBAFW-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.30
Rot. Bonds2

About N-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-2-morpholin-4-yl-2-oxoacetamide

N-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-2-morpholin-4-yl-2-oxoacetamide (PubChem CID 159828981) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-2-morpholin-4-yl-2-oxoacetamide.

Molecular Properties

Compound NameN-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-2-morpholin-4-yl-2-oxoacetamide
PubChem CID159828981
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-2-morpholin-4-yl-2-oxoacetamide
SMILESO=C(Nc1cc2c(c(-c3cc4ccccc4s3)c1)CN=C2)C(=O)N1CCOCC1
InChIInChI=1S/C22H19N3O3S/c26-21(22(27)25-5-7-28-8-6-25)24-16-9-15-12-23-13-18(15)17(11-16)20-10-14-3-1-2-4-19(14)29-20/h1-4,9-12H,5-8,13H2,(H,24,26)
InChIKeyNNFCVFINHYBAFW-UHFFFAOYSA-N
XLogP3.30
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-2-morpholin-4-yl-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-2-morpholin-4-yl-2-oxoacetamide?
The IUPAC name of N-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-2-morpholin-4-yl-2-oxoacetamide (CID 159828981) is N-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-2-morpholin-4-yl-2-oxoacetamide.
What is the SMILES notation for N-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-2-morpholin-4-yl-2-oxoacetamide?
The canonical SMILES for N-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-2-morpholin-4-yl-2-oxoacetamide is O=C(Nc1cc2c(c(-c3cc4ccccc4s3)c1)CN=C2)C(=O)N1CCOCC1.
What is the InChIKey of N-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-2-morpholin-4-yl-2-oxoacetamide?
The InChIKey is NNFCVFINHYBAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c26-21(22(27)25-5-7-28-8-6-25)24-16-9-15-12-23-13-18(15)17(11-16)20-10-14-3-1-2-4-19(14)29-20/h1-4,9-12H,5-8,13H2,(H,24,26).
What are the key properties of N-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-2-morpholin-4-yl-2-oxoacetamide?
N-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-2-morpholin-4-yl-2-oxoacetamide has a molecular weight of 405.48 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]-2-morpholin-4-yl-2-oxoacetamide is sourced from PubChem (CID 159828981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).