N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide

C24H25N3O3S — CID 25051841

IUPACN-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide
SMILESCCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C4CC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C24H25N3O3S/c1-2-30-19-10-13-21-22(15-25)24(27(23(21)14-19)18-4-3-5-18)16-6-8-17(9-7-16)26-31(28,29)20-11-12-20/h6-10,13-14,18,20,26H,2-5,11-12H2,1H3
InChIKeyHHFFAKVRWPMXRE-UHFFFAOYSA-N
MW435.55 g/mol
LogP5.21
Rot. Bonds7

About N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide

N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide (PubChem CID 25051841) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide
PubChem CID25051841
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide
SMILESCCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C4CC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C24H25N3O3S/c1-2-30-19-10-13-21-22(15-25)24(27(23(21)14-19)18-4-3-5-18)16-6-8-17(9-7-16)26-31(28,29)20-11-12-20/h6-10,13-14,18,20,26H,2-5,11-12H2,1H3
InChIKeyHHFFAKVRWPMXRE-UHFFFAOYSA-N
XLogP5.21
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide (CID 25051841) is N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide is CCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C4CC4)cc3)n(C3CCC3)c2c1.
What is the InChIKey of N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide?
The InChIKey is HHFFAKVRWPMXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-2-30-19-10-13-21-22(15-25)24(27(23(21)14-19)18-4-3-5-18)16-6-8-17(9-7-16)26-31(28,29)20-11-12-20/h6-10,13-14,18,20,26H,2-5,11-12H2,1H3.
What are the key properties of N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide?
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide has a molecular weight of 435.55 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 25051841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).