N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide

C16H18N2O5S — CID 2800759

IUPACN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCC#N)Cc2ccco2)cc1OC
InChIInChI=1S/C16H18N2O5S/c1-21-15-7-6-14(11-16(15)22-2)24(19,20)18(9-4-8-17)12-13-5-3-10-23-13/h3,5-7,10-11H,4,9,12H2,1-2H3
InChIKeyFAQXODALVVHLBU-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.40
Rot. Bonds8

About N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 2800759) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID2800759
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCC#N)Cc2ccco2)cc1OC
InChIInChI=1S/C16H18N2O5S/c1-21-15-7-6-14(11-16(15)22-2)24(19,20)18(9-4-8-17)12-13-5-3-10-23-13/h3,5-7,10-11H,4,9,12H2,1-2H3
InChIKeyFAQXODALVVHLBU-UHFFFAOYSA-N
XLogP2.40
TPSA92.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide 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-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide (CID 2800759) is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(CCC#N)Cc2ccco2)cc1OC.
What is the InChIKey of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is FAQXODALVVHLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-21-15-7-6-14(11-16(15)22-2)24(19,20)18(9-4-8-17)12-13-5-3-10-23-13/h3,5-7,10-11H,4,9,12H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide?
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 2800759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).