2'-oxo-N-[(4-sulfamoylphenyl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide

C23H20N4O4S — CID 11583198

IUPAC2'-oxo-N-[(4-sulfamoylphenyl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)cc1
InChIInChI=1S/C23H20N4O4S/c24-32(30,31)18-7-3-14(4-8-18)13-26-21(28)15-5-6-16-11-23(12-17(16)10-15)19-2-1-9-25-20(19)27-22(23)29/h1-10H,11-13H2,(H,26,28)(H2,24,30,31)(H,25,27,29)
InChIKeyXLPSNUIKHJTNGO-UHFFFAOYSA-N
MW448.50 g/mol
LogP1.65
Rot. Bonds4

About 2'-oxo-N-[(4-sulfamoylphenyl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide

2'-oxo-N-[(4-sulfamoylphenyl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide (PubChem CID 11583198) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is 2'-oxo-N-[(4-sulfamoylphenyl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide.

Molecular Properties

Compound Name2'-oxo-N-[(4-sulfamoylphenyl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide
PubChem CID11583198
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC Name2'-oxo-N-[(4-sulfamoylphenyl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)cc1
InChIInChI=1S/C23H20N4O4S/c24-32(30,31)18-7-3-14(4-8-18)13-26-21(28)15-5-6-16-11-23(12-17(16)10-15)19-2-1-9-25-20(19)27-22(23)29/h1-10H,11-13H2,(H,26,28)(H2,24,30,31)(H,25,27,29)
InChIKeyXLPSNUIKHJTNGO-UHFFFAOYSA-N
XLogP1.65
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide
CID 71094942
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-5-carboxamide
CID 18447408
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2566555
2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide
CID 110766627
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537
N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide
CID 56943128
2-methanidylbutane;5-methanidylspiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one;tungsten(2+)
CID 58379671
2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 77087766
N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide
CID 146077356
2-propylsulfanyl-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
CID 44775847
N-[(4-sulfamoylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 17419772

Frequently Asked Questions

What is the IUPAC name of 2'-oxo-N-[(4-sulfamoylphenyl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide?
The IUPAC name of 2'-oxo-N-[(4-sulfamoylphenyl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide (CID 11583198) is 2'-oxo-N-[(4-sulfamoylphenyl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide.
What is the SMILES notation for 2'-oxo-N-[(4-sulfamoylphenyl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide?
The canonical SMILES for 2'-oxo-N-[(4-sulfamoylphenyl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)cc1.
What is the InChIKey of 2'-oxo-N-[(4-sulfamoylphenyl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide?
The InChIKey is XLPSNUIKHJTNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c24-32(30,31)18-7-3-14(4-8-18)13-26-21(28)15-5-6-16-11-23(12-17(16)10-15)19-2-1-9-25-20(19)27-22(23)29/h1-10H,11-13H2,(H,26,28)(H2,24,30,31)(H,25,27,29).
What are the key properties of 2'-oxo-N-[(4-sulfamoylphenyl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide?
2'-oxo-N-[(4-sulfamoylphenyl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-oxo-N-[(4-sulfamoylphenyl)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide is sourced from PubChem (CID 11583198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).