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

C28H30FN3O3S — CID 122545348

IUPAC5-(5-fluoro-2-methylphenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3cc(-c4cc(F)ccc4C)ccc32)cc1
InChIInChI=1S/C28H30FN3O3S/c1-19-5-9-22(29)16-24(19)21-8-12-26-25(15-21)28(13-3-4-14-28)18-32(26)27(33)31-17-20-6-10-23(11-7-20)36(34,35)30-2/h5-12,15-16,30H,3-4,13-14,17-18H2,1-2H3,(H,31,33)
InChIKeyGYWANZXJKDQQGZ-UHFFFAOYSA-N
MW507.63 g/mol
LogP5.25
Rot. Bonds5

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

5-(5-fluoro-2-methylphenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (PubChem CID 122545348) has the molecular formula C28H30FN3O3S and a molecular weight of 507.63 g/mol. Its IUPAC name is 5-(5-fluoro-2-methylphenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.

Molecular Properties

Compound Name5-(5-fluoro-2-methylphenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
PubChem CID122545348
Molecular FormulaC28H30FN3O3S
Molecular Weight507.63 g/mol
Exact Mass507.20
IUPAC Name5-(5-fluoro-2-methylphenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3cc(-c4cc(F)ccc4C)ccc32)cc1
InChIInChI=1S/C28H30FN3O3S/c1-19-5-9-22(29)16-24(19)21-8-12-26-25(15-21)28(13-3-4-14-28)18-32(26)27(33)31-17-20-6-10-23(11-7-20)36(34,35)30-2/h5-12,15-16,30H,3-4,13-14,17-18H2,1-2H3,(H,31,33)
InChIKeyGYWANZXJKDQQGZ-UHFFFAOYSA-N
XLogP5.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methylphenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The IUPAC name of 5-(5-fluoro-2-methylphenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (CID 122545348) is 5-(5-fluoro-2-methylphenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.
What is the SMILES notation for 5-(5-fluoro-2-methylphenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The canonical SMILES for 5-(5-fluoro-2-methylphenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is CNS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3cc(-c4cc(F)ccc4C)ccc32)cc1.
What is the InChIKey of 5-(5-fluoro-2-methylphenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The InChIKey is GYWANZXJKDQQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O3S/c1-19-5-9-22(29)16-24(19)21-8-12-26-25(15-21)28(13-3-4-14-28)18-32(26)27(33)31-17-20-6-10-23(11-7-20)36(34,35)30-2/h5-12,15-16,30H,3-4,13-14,17-18H2,1-2H3,(H,31,33).
What are the key properties of 5-(5-fluoro-2-methylphenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
5-(5-fluoro-2-methylphenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide has a molecular weight of 507.63 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methylphenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is sourced from PubChem (CID 122545348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).