N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide

C29H27N5O3S — CID 59425805

IUPACN-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C#N)cc3n2C2CCC2)cc1C
InChIInChI=1S/C29H27N5O3S/c1-3-14-38(35,36)33-26-12-9-20(15-19(26)2)28-25(18-31)24-11-10-23(16-27(24)34(28)22-7-4-8-22)37-29-21(17-30)6-5-13-32-29/h5-6,9-13,15-16,22,33H,3-4,7-8,14H2,1-2H3
InChIKeyFTWYUCISUDBXJM-UHFFFAOYSA-N
MW525.63 g/mol
LogP6.42
Rot. Bonds8

About N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide

N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide (PubChem CID 59425805) has the molecular formula C29H27N5O3S and a molecular weight of 525.63 g/mol. Its IUPAC name is N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide
PubChem CID59425805
Molecular FormulaC29H27N5O3S
Molecular Weight525.63 g/mol
Exact Mass525.18
IUPAC NameN-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C#N)cc3n2C2CCC2)cc1C
InChIInChI=1S/C29H27N5O3S/c1-3-14-38(35,36)33-26-12-9-20(15-19(26)2)28-25(18-31)24-11-10-23(16-27(24)34(28)22-7-4-8-22)37-29-21(17-30)6-5-13-32-29/h5-6,9-13,15-16,22,33H,3-4,7-8,14H2,1-2H3
InChIKeyFTWYUCISUDBXJM-UHFFFAOYSA-N
XLogP6.42
TPSA120.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.63
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide (CID 59425805) is N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C#N)cc3n2C2CCC2)cc1C.
What is the InChIKey of N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide?
The InChIKey is FTWYUCISUDBXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3S/c1-3-14-38(35,36)33-26-12-9-20(15-19(26)2)28-25(18-31)24-11-10-23(16-27(24)34(28)22-7-4-8-22)37-29-21(17-30)6-5-13-32-29/h5-6,9-13,15-16,22,33H,3-4,7-8,14H2,1-2H3.
What are the key properties of N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide?
N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide has a molecular weight of 525.63 g/mol, XLogP of 6.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide is sourced from PubChem (CID 59425805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).