5-(6-methoxy-2-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide

C28H32N4O4S — CID 122546769

IUPAC5-(6-methoxy-2-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3cc(-c4ccc(OC)nc4C)ccc32)cc1
InChIInChI=1S/C28H32N4O4S/c1-19-23(11-13-26(31-19)36-3)21-8-12-25-24(16-21)28(14-4-5-15-28)18-32(25)27(33)30-17-20-6-9-22(10-7-20)37(34,35)29-2/h6-13,16,29H,4-5,14-15,17-18H2,1-3H3,(H,30,33)
InChIKeyTZHMBFKTXHTOJI-UHFFFAOYSA-N
MW520.66 g/mol
LogP4.52
Rot. Bonds6

About 5-(6-methoxy-2-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide

5-(6-methoxy-2-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (PubChem CID 122546769) has the molecular formula C28H32N4O4S and a molecular weight of 520.66 g/mol. Its IUPAC name is 5-(6-methoxy-2-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.

Molecular Properties

Compound Name5-(6-methoxy-2-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
PubChem CID122546769
Molecular FormulaC28H32N4O4S
Molecular Weight520.66 g/mol
Exact Mass520.21
IUPAC Name5-(6-methoxy-2-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3cc(-c4ccc(OC)nc4C)ccc32)cc1
InChIInChI=1S/C28H32N4O4S/c1-19-23(11-13-26(31-19)36-3)21-8-12-25-24(16-21)28(14-4-5-15-28)18-32(25)27(33)30-17-20-6-9-22(10-7-20)37(34,35)29-2/h6-13,16,29H,4-5,14-15,17-18H2,1-3H3,(H,30,33)
InChIKeyTZHMBFKTXHTOJI-UHFFFAOYSA-N
XLogP4.52
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.66
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-2-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The IUPAC name of 5-(6-methoxy-2-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (CID 122546769) is 5-(6-methoxy-2-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.
What is the SMILES notation for 5-(6-methoxy-2-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The canonical SMILES for 5-(6-methoxy-2-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is CNS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3cc(-c4ccc(OC)nc4C)ccc32)cc1.
What is the InChIKey of 5-(6-methoxy-2-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The InChIKey is TZHMBFKTXHTOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4S/c1-19-23(11-13-26(31-19)36-3)21-8-12-25-24(16-21)28(14-4-5-15-28)18-32(25)27(33)30-17-20-6-9-22(10-7-20)37(34,35)29-2/h6-13,16,29H,4-5,14-15,17-18H2,1-3H3,(H,30,33).
What are the key properties of 5-(6-methoxy-2-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
5-(6-methoxy-2-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide has a molecular weight of 520.66 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-2-methyl-3-pyridinyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is sourced from PubChem (CID 122546769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).