[N-methyl-4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]anilino] sulfite

C23H18N3O5S- — CID 174605876

IUPAC[N-methyl-4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]anilino] sulfite
SMILESCN(OS(=O)[O-])c1ccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1
InChIInChI=1S/C23H19N3O5S/c1-25(31-32(29)30)18-12-10-17(11-13-18)24-23(28)22(27)21-20(16-7-3-2-4-8-16)15-19-9-5-6-14-26(19)21/h2-15H,1H3,(H,24,28)(H,29,30)/p-1
InChIKeyXLMQIWGZWJNQDM-UHFFFAOYSA-M
MW448.48 g/mol
LogP3.59
Rot. Bonds7

About [N-methyl-4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]anilino] sulfite

[N-methyl-4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]anilino] sulfite (PubChem CID 174605876) has the molecular formula C23H18N3O5S- and a molecular weight of 448.48 g/mol. Its IUPAC name is [N-methyl-4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]anilino] sulfite.

Molecular Properties

Compound Name[N-methyl-4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]anilino] sulfite
PubChem CID174605876
Molecular FormulaC23H18N3O5S-
Molecular Weight448.48 g/mol
Exact Mass448.10
IUPAC Name[N-methyl-4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]anilino] sulfite
SMILESCN(OS(=O)[O-])c1ccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1
InChIInChI=1S/C23H19N3O5S/c1-25(31-32(29)30)18-12-10-17(11-13-18)24-23(28)22(27)21-20(16-7-3-2-4-8-16)15-19-9-5-6-14-26(19)21/h2-15H,1H3,(H,24,28)(H,29,30)/p-1
InChIKeyXLMQIWGZWJNQDM-UHFFFAOYSA-M
XLogP3.59
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze [N-methyl-4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]anilino] sulfite with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(1-hydroxyethyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 67106871
3-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]benzoic acid
CID 68828260
4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]-2-propan-2-ylbenzoic acid
CID 91265983
N-ethyl-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 2371420
N-(1-methylbenzimidazol-5-yl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 67106521
2-(2-propan-2-ylimidazol-1-yl)ethyl 2-methyl-2-[4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl]propanoate
CID 24999782
N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 24997918
2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-2-(2-phenylindolizin-3-yl)acetamide;[2-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl] N,N-diethylcarbamate
CID 160836079
N-[4-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl-methylamino]phenyl]-2-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide
CID 67326755
ethyl 2,4-dioxo-4-(2-phenylindolizin-3-yl)butanoate
CID 13156241
N-[3-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)propan-2-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 24998848
2-[2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizin-3-yl]-N-[4-(1,3-oxazol-2-yl)phenyl]-2-oxoacetamide
CID 59224742

Frequently Asked Questions

What is the IUPAC name of [N-methyl-4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]anilino] sulfite?
The IUPAC name of [N-methyl-4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]anilino] sulfite (CID 174605876) is [N-methyl-4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]anilino] sulfite.
What is the SMILES notation for [N-methyl-4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]anilino] sulfite?
The canonical SMILES for [N-methyl-4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]anilino] sulfite is CN(OS(=O)[O-])c1ccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1.
What is the InChIKey of [N-methyl-4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]anilino] sulfite?
The InChIKey is XLMQIWGZWJNQDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H19N3O5S/c1-25(31-32(29)30)18-12-10-17(11-13-18)24-23(28)22(27)21-20(16-7-3-2-4-8-16)15-19-9-5-6-14-26(19)21/h2-15H,1H3,(H,24,28)(H,29,30)/p-1.
What are the key properties of [N-methyl-4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]anilino] sulfite?
[N-methyl-4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]anilino] sulfite has a molecular weight of 448.48 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [N-methyl-4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]anilino] sulfite is sourced from PubChem (CID 174605876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).