N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide

C23H28N2O4S — CID 71624182

IUPACN-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
SMILESCCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H28N2O4S/c1-4-24(5-2)20-10-8-19(9-11-20)17-25(18-22-7-6-16-29-22)30(26,27)23-14-12-21(28-3)13-15-23/h6-16H,4-5,17-18H2,1-3H3
InChIKeySLKSBTBCUUFNIQ-UHFFFAOYSA-N
MW428.55 g/mol
LogP4.53
Rot. Bonds10

About N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide

N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide (PubChem CID 71624182) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
PubChem CID71624182
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
SMILESCCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H28N2O4S/c1-4-24(5-2)20-10-8-19(9-11-20)17-25(18-22-7-6-16-29-22)30(26,27)23-14-12-21(28-3)13-15-23/h6-16H,4-5,17-18H2,1-3H3
InChIKeySLKSBTBCUUFNIQ-UHFFFAOYSA-N
XLogP4.53
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide (CID 71624182) is N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide is CCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
The InChIKey is SLKSBTBCUUFNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-4-24(5-2)20-10-8-19(9-11-20)17-25(18-22-7-6-16-29-22)30(26,27)23-14-12-21(28-3)13-15-23/h6-16H,4-5,17-18H2,1-3H3.
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide has a molecular weight of 428.55 g/mol, XLogP of 4.53, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 71624182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).