N-(4-acetamidophenyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide

C45H36N8O7S — CID 158635036

IUPACN-(4-acetamidophenyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)c2c(-c3cccnc3)cc3ccccn23)cc1.CS(=O)(=O)Nc1ccc(NC(=O)C(=O)c2c(-c3cccnc3)cc3ccccn23)cc1
InChIInChI=1S/C23H18N4O3.C22H18N4O4S/c1-15(28)25-17-7-9-18(10-8-17)26-23(30)22(29)21-20(16-5-4-11-24-14-16)13-19-6-2-3-12-27(19)21;1-31(29,30)25-17-9-7-16(8-10-17)24-22(28)21(27)20-19(15-5-4-11-23-14-15)13-18-6-2-3-12-26(18)20/h2-14H,1H3,(H,25,28)(H,26,30);2-14,25H,1H3,(H,24,28)
InChIKeyHZQYSRBEOBDRDZ-UHFFFAOYSA-N
MW832.90 g/mol
LogP6.98
Rot. Bonds11

About N-(4-acetamidophenyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide

N-(4-acetamidophenyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide (PubChem CID 158635036) has the molecular formula C45H36N8O7S and a molecular weight of 832.90 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide
PubChem CID158635036
Molecular FormulaC45H36N8O7S
Molecular Weight832.90 g/mol
Exact Mass832.24
IUPAC NameN-(4-acetamidophenyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)c2c(-c3cccnc3)cc3ccccn23)cc1.CS(=O)(=O)Nc1ccc(NC(=O)C(=O)c2c(-c3cccnc3)cc3ccccn23)cc1
InChIInChI=1S/C23H18N4O3.C22H18N4O4S/c1-15(28)25-17-7-9-18(10-8-17)26-23(30)22(29)21-20(16-5-4-11-24-14-16)13-19-6-2-3-12-27(19)21;1-31(29,30)25-17-9-7-16(8-10-17)24-22(28)21(27)20-19(15-5-4-11-23-14-15)13-18-6-2-3-12-26(18)20/h2-14H,1H3,(H,25,28)(H,26,30);2-14,25H,1H3,(H,24,28)
InChIKeyHZQYSRBEOBDRDZ-UHFFFAOYSA-N
XLogP6.98
TPSA202.21 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500832.90
LogP ≤ 56.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-(4-acetamidophenyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide 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-[3-(diethylsulfamoyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 4250479
N-[(4,6-dimethylpyridin-2-yl)methyl]-2,2,2-trifluoro-N-[4-[[2-oxo-2-(2-phenylindolizin-3-yl)acetyl]amino]phenyl]acetamide
CID 87271276
N-(9-ethylcarbazol-3-yl)-2-[2-(4-fluorophenyl)indolizin-3-yl]-2-oxoacetamide
CID 125687057
N-(4-acetamidophenyl)-2-[2-(4-fluorophenyl)indolizin-3-yl]-2-oxoacetamide
CID 125690466
2-oxo-N-phenyl-2-(2-phenylindolizin-3-yl)acetamide
CID 2217588
N-[4-(diethylsulfamoyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 2353138
2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 2353879
2-oxo-2-(2-phenylindolizin-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3595412
2-Oxo-2-(2-phenylindolizin-3-yl)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide
CID 4228341
N-(4-methylphenyl)-2-oxo-2-(2-pyridin-4-ylindolizin-3-yl)acetamide
CID 16097570
N-(4-methylphenyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide
CID 16097573
N-(4-methylphenyl)-2-(6-methyl-2-pyridin-3-ylindolizin-3-yl)-2-oxoacetamide
CID 16097597

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide (CID 158635036) is N-(4-acetamidophenyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide is CC(=O)Nc1ccc(NC(=O)C(=O)c2c(-c3cccnc3)cc3ccccn23)cc1.CS(=O)(=O)Nc1ccc(NC(=O)C(=O)c2c(-c3cccnc3)cc3ccccn23)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide?
The InChIKey is HZQYSRBEOBDRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3.C22H18N4O4S/c1-15(28)25-17-7-9-18(10-8-17)26-23(30)22(29)21-20(16-5-4-11-24-14-16)13-19-6-2-3-12-27(19)21;1-31(29,30)25-17-9-7-16(8-10-17)24-22(28)21(27)20-19(15-5-4-11-23-14-15)13-18-6-2-3-12-26(18)20/h2-14H,1H3,(H,25,28)(H,26,30);2-14,25H,1H3,(H,24,28).
What are the key properties of N-(4-acetamidophenyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide?
N-(4-acetamidophenyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide has a molecular weight of 832.90 g/mol, XLogP of 6.98, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide;N-[4-(methanesulfonamido)phenyl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide is sourced from PubChem (CID 158635036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).