4-[2-[5-cyano-2-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinyl]ethenyl]-N,N-diethylbenzenesulfonamide

C28H29N5O2S — CID 172855985

IUPAC4-[2-[5-cyano-2-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinyl]ethenyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C=Cc2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1
InChIInChI=1S/C28H29N5O2S/c1-5-33(6-2)36(34,35)23-10-7-21(8-11-23)9-12-25-20(4)31-18-22(17-29)28(25)32-26-13-14-27-24(19(26)3)15-16-30-27/h7-16,18,30H,5-6H2,1-4H3,(H,31,32)
InChIKeyYSDSSXISVXCLJG-UHFFFAOYSA-N
MW499.64 g/mol
LogP6.00
Rot. Bonds8

About 4-[2-[5-cyano-2-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinyl]ethenyl]-N,N-diethylbenzenesulfonamide

4-[2-[5-cyano-2-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinyl]ethenyl]-N,N-diethylbenzenesulfonamide (PubChem CID 172855985) has the molecular formula C28H29N5O2S and a molecular weight of 499.64 g/mol. Its IUPAC name is 4-[2-[5-cyano-2-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinyl]ethenyl]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[5-cyano-2-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinyl]ethenyl]-N,N-diethylbenzenesulfonamide
PubChem CID172855985
Molecular FormulaC28H29N5O2S
Molecular Weight499.64 g/mol
Exact Mass499.20
IUPAC Name4-[2-[5-cyano-2-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinyl]ethenyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C=Cc2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1
InChIInChI=1S/C28H29N5O2S/c1-5-33(6-2)36(34,35)23-10-7-21(8-11-23)9-12-25-20(4)31-18-22(17-29)28(25)32-26-13-14-27-24(19(26)3)15-16-30-27/h7-16,18,30H,5-6H2,1-4H3,(H,31,32)
InChIKeyYSDSSXISVXCLJG-UHFFFAOYSA-N
XLogP6.00
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.64
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[5-cyano-2-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinyl]ethenyl]-N,N-diethylbenzenesulfonamide 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 4-[2-[5-cyano-2-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinyl]ethenyl]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[2-[5-cyano-2-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinyl]ethenyl]-N,N-diethylbenzenesulfonamide (CID 172855985) is 4-[2-[5-cyano-2-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinyl]ethenyl]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[5-cyano-2-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinyl]ethenyl]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[2-[5-cyano-2-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinyl]ethenyl]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C=Cc2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)cc1.
What is the InChIKey of 4-[2-[5-cyano-2-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinyl]ethenyl]-N,N-diethylbenzenesulfonamide?
The InChIKey is YSDSSXISVXCLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2S/c1-5-33(6-2)36(34,35)23-10-7-21(8-11-23)9-12-25-20(4)31-18-22(17-29)28(25)32-26-13-14-27-24(19(26)3)15-16-30-27/h7-16,18,30H,5-6H2,1-4H3,(H,31,32).
What are the key properties of 4-[2-[5-cyano-2-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinyl]ethenyl]-N,N-diethylbenzenesulfonamide?
4-[2-[5-cyano-2-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinyl]ethenyl]-N,N-diethylbenzenesulfonamide has a molecular weight of 499.64 g/mol, XLogP of 6.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-cyano-2-methyl-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinyl]ethenyl]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 172855985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).