N-(3-cyano-4,5-diphenylfuran-2-yl)-2,5-dimethoxybenzenesulfonamide

C25H20N2O5S — CID 108781749

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C25H20N2O5S/c1-30-19-13-14-21(31-2)22(15-19)33(28,29)27-25-20(16-26)23(17-9-5-3-6-10-17)24(32-25)18-11-7-4-8-12-18/h3-15,27H,1-2H3
InChIKeyGJLLCJVBRYUKCO-UHFFFAOYSA-N
MW460.51 g/mol
LogP5.30
Rot. Bonds7

About N-(3-cyano-4,5-diphenylfuran-2-yl)-2,5-dimethoxybenzenesulfonamide

N-(3-cyano-4,5-diphenylfuran-2-yl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 108781749) has the molecular formula C25H20N2O5S and a molecular weight of 460.51 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2,5-dimethoxybenzenesulfonamide
PubChem CID108781749
Molecular FormulaC25H20N2O5S
Molecular Weight460.51 g/mol
Exact Mass460.11
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C25H20N2O5S/c1-30-19-13-14-21(31-2)22(15-19)33(28,29)27-25-20(16-26)23(17-9-5-3-6-10-17)24(32-25)18-11-7-4-8-12-18/h3-15,27H,1-2H3
InChIKeyGJLLCJVBRYUKCO-UHFFFAOYSA-N
XLogP5.30
TPSA101.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.51
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyano-4,5-diphenylfuran-2-yl)-2,5-dimethoxybenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-cyano-4,5-diphenylfuran-2-yl)methanesulfonamide
CID 108781743
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide
CID 18846752
2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098161
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 108757727
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 23993962
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2475392
N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide
CID 43605524
2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2208419
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide
CID 108757692
N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide
CID 172538343

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,5-dimethoxybenzenesulfonamide (CID 108781749) is N-(3-cyano-4,5-diphenylfuran-2-yl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is GJLLCJVBRYUKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5S/c1-30-19-13-14-21(31-2)22(15-19)33(28,29)27-25-20(16-26)23(17-9-5-3-6-10-17)24(32-25)18-11-7-4-8-12-18/h3-15,27H,1-2H3.
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,5-dimethoxybenzenesulfonamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 460.51 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 108781749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).