N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

C20H21NO5S — CID 3696608

IUPACN-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H21NO5S/c1-24-17-7-5-16(6-8-17)14-21(15-19-4-3-13-26-19)27(22,23)20-11-9-18(25-2)10-12-20/h3-13H,14-15H2,1-2H3
InChIKeyRKCVKDWHGRGNEN-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.69
Rot. Bonds8

About N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 3696608) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID3696608
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC NameN-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H21NO5S/c1-24-17-7-5-16(6-8-17)14-21(15-19-4-3-13-26-19)27(22,23)20-11-9-18(25-2)10-12-20/h3-13H,14-15H2,1-2H3
InChIKeyRKCVKDWHGRGNEN-UHFFFAOYSA-N
XLogP3.69
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
4-[benzyl(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[(4-ethoxyphenyl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]sulfamoyl]benzoic acid;4-[furan-2-ylmethyl-[(4-propoxyphenyl)methyl]sulfamoyl]benzoic acid
CID 158552337
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
4-[furan-2-ylmethyl-[(3-methoxyphenyl)methyl]sulfamoyl]benzoic acid
CID 23857762
4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 65480815
N-(furan-2-ylmethyl)-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164892
N-[2-(3-chlorophenoxy)ethyl]-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 18285388
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 3294592
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124
N-(3-chlorophenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 2459887

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 3696608) is N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is RKCVKDWHGRGNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S/c1-24-17-7-5-16(6-8-17)14-21(15-19-4-3-13-26-19)27(22,23)20-11-9-18(25-2)10-12-20/h3-13H,14-15H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 387.46 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 3696608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).