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

C23H28N2O3S — CID 71624058

IUPACN-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H28N2O3S/c1-4-24(5-2)21-12-10-20(11-13-21)17-25(18-22-7-6-16-28-22)29(26,27)23-14-8-19(3)9-15-23/h6-16H,4-5,17-18H2,1-3H3
InChIKeyDOWDHAPVKJQUKV-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.83
Rot. Bonds9

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

N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide (PubChem CID 71624058) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
PubChem CID71624058
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H28N2O3S/c1-4-24(5-2)21-12-10-20(11-13-21)17-25(18-22-7-6-16-28-22)29(26,27)23-14-8-19(3)9-15-23/h6-16H,4-5,17-18H2,1-3H3
InChIKeyDOWDHAPVKJQUKV-UHFFFAOYSA-N
XLogP4.83
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide 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-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide (CID 71624058) is N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide is CCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The InChIKey is DOWDHAPVKJQUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-4-24(5-2)21-12-10-20(11-13-21)17-25(18-22-7-6-16-28-22)29(26,27)23-14-8-19(3)9-15-23/h6-16H,4-5,17-18H2,1-3H3.
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide has a molecular weight of 412.56 g/mol, XLogP of 4.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 71624058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).