N-[2-(furan-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

C15H19NO4S — CID 90558429

IUPACN-[2-(furan-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCc1ccoc1
InChIInChI=1S/C15H19NO4S/c1-11-8-14(19-3)15(9-12(11)2)21(17,18)16-6-4-13-5-7-20-10-13/h5,7-10,16H,4,6H2,1-3H3
InChIKeyWFWADXAAUSSPMJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.43
Rot. Bonds6

About N-[2-(furan-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

N-[2-(furan-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 90558429) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[2-(furan-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(furan-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID90558429
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC NameN-[2-(furan-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCc1ccoc1
InChIInChI=1S/C15H19NO4S/c1-11-8-14(19-3)15(9-12(11)2)21(17,18)16-6-4-13-5-7-20-10-13/h5,7-10,16H,4,6H2,1-3H3
InChIKeyWFWADXAAUSSPMJ-UHFFFAOYSA-N
XLogP2.43
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide
CID 90558451
N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 71804459
N-[2-(3-chlorophenyl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098413
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110601258
4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 110758856
2-methoxy-4,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 110660663
N-[4-[2-(furan-3-yl)ethylsulfamoyl]-3-methylphenyl]propanamide
CID 90558454
2-methoxy-4,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716631
N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 129355075
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 30365956
2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide
CID 113095698

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(furan-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 90558429) is N-[2-(furan-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(furan-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(furan-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NCCc1ccoc1.
What is the InChIKey of N-[2-(furan-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is WFWADXAAUSSPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-11-8-14(19-3)15(9-12(11)2)21(17,18)16-6-4-13-5-7-20-10-13/h5,7-10,16H,4,6H2,1-3H3.
What are the key properties of N-[2-(furan-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-[2-(furan-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 90558429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).