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

C25H28N4O4S2 — CID 154584462

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide
SMILESCC1CCC2(CC1)SC(C)C(=O)N2NC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1
InChIInChI=1S/C25H28N4O4S2/c1-15-10-12-25(13-11-15)29(24(31)16(2)34-25)28-23(30)22-21(17-6-4-3-5-7-17)19-14-18(35(26,32)33)8-9-20(19)27-22/h3-9,14-16,27H,10-13H2,1-2H3,(H,28,30)(H2,26,32,33)
InChIKeyNWIPDBQNAZXVDM-UHFFFAOYSA-N
MW512.66 g/mol
LogP4.00
Rot. Bonds4

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

N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide (PubChem CID 154584462) has the molecular formula C25H28N4O4S2 and a molecular weight of 512.66 g/mol. Its IUPAC name is N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide
PubChem CID154584462
Molecular FormulaC25H28N4O4S2
Molecular Weight512.66 g/mol
Exact Mass512.16
IUPAC NameN-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide
SMILESCC1CCC2(CC1)SC(C)C(=O)N2NC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1
InChIInChI=1S/C25H28N4O4S2/c1-15-10-12-25(13-11-15)29(24(31)16(2)34-25)28-23(30)22-21(17-6-4-3-5-7-17)19-14-18(35(26,32)33)8-9-20(19)27-22/h3-9,14-16,27H,10-13H2,1-2H3,(H,28,30)(H2,26,32,33)
InChIKeyNWIPDBQNAZXVDM-UHFFFAOYSA-N
XLogP4.00
TPSA125.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.66
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide?
The IUPAC name of N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide (CID 154584462) is N-(2,8-dimethyl-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-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide is CC1CCC2(CC1)SC(C)C(=O)N2NC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1.
What is the InChIKey of N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide?
The InChIKey is NWIPDBQNAZXVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S2/c1-15-10-12-25(13-11-15)29(24(31)16(2)34-25)28-23(30)22-21(17-6-4-3-5-7-17)19-14-18(35(26,32)33)8-9-20(19)27-22/h3-9,14-16,27H,10-13H2,1-2H3,(H,28,30)(H2,26,32,33).
What are the key properties of N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide?
N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide has a molecular weight of 512.66 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide is sourced from PubChem (CID 154584462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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