N-(8-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide

C24H26N4O4S2 — CID 154584458

IUPACN-(8-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide
SMILESCC1CCC2(CC1)SCC(=O)N2NC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1
InChIInChI=1S/C24H26N4O4S2/c1-15-9-11-24(12-10-15)28(20(29)14-33-24)27-23(30)22-21(16-5-3-2-4-6-16)18-13-17(34(25,31)32)7-8-19(18)26-22/h2-8,13,15,26H,9-12,14H2,1H3,(H,27,30)(H2,25,31,32)
InChIKeyLODWVRYLPUUUKO-UHFFFAOYSA-N
MW498.63 g/mol
LogP3.61
Rot. Bonds4

About N-(8-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide

N-(8-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide (PubChem CID 154584458) has the molecular formula C24H26N4O4S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-(8-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(8-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide
PubChem CID154584458
Molecular FormulaC24H26N4O4S2
Molecular Weight498.63 g/mol
Exact Mass498.14
IUPAC NameN-(8-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide
SMILESCC1CCC2(CC1)SCC(=O)N2NC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1
InChIInChI=1S/C24H26N4O4S2/c1-15-9-11-24(12-10-15)28(20(29)14-33-24)27-23(30)22-21(16-5-3-2-4-6-16)18-13-17(34(25,31)32)7-8-19(18)26-22/h2-8,13,15,26H,9-12,14H2,1H3,(H,27,30)(H2,25,31,32)
InChIKeyLODWVRYLPUUUKO-UHFFFAOYSA-N
XLogP3.61
TPSA125.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide?
The IUPAC name of N-(8-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide (CID 154584458) is N-(8-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(8-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(8-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide is CC1CCC2(CC1)SCC(=O)N2NC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1.
What is the InChIKey of N-(8-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide?
The InChIKey is LODWVRYLPUUUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S2/c1-15-9-11-24(12-10-15)28(20(29)14-33-24)27-23(30)22-21(16-5-3-2-4-6-16)18-13-17(34(25,31)32)7-8-19(18)26-22/h2-8,13,15,26H,9-12,14H2,1H3,(H,27,30)(H2,25,31,32).
What are the key properties of N-(8-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide?
N-(8-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide has a molecular weight of 498.63 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide is sourced from PubChem (CID 154584458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).