N-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

C16H21NO4S — CID 90536200

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCc1cc(C)oc1C
InChIInChI=1S/C16H21NO4S/c1-10-6-15(20-5)16(7-11(10)2)22(18,19)17-9-14-8-12(3)21-13(14)4/h6-8,17H,9H2,1-5H3
InChIKeySFOQBROTJAXJIL-UHFFFAOYSA-N
MW323.41 g/mol
LogP3.00
Rot. Bonds5

About N-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

N-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 90536200) has the molecular formula C16H21NO4S and a molecular weight of 323.41 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID90536200
Molecular FormulaC16H21NO4S
Molecular Weight323.41 g/mol
Exact Mass323.12
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCc1cc(C)oc1C
InChIInChI=1S/C16H21NO4S/c1-10-6-15(20-5)16(7-11(10)2)22(18,19)17-9-14-8-12(3)21-13(14)4/h6-8,17H,9H2,1-5H3
InChIKeySFOQBROTJAXJIL-UHFFFAOYSA-N
XLogP3.00
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 90536208
2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660446
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110641956
2-methoxy-4,5-dimethyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110642099
2-methoxy-4,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 110714475
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide
CID 86952203
methyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 56765592
N-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide
CID 90536150
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 86825312
2-methoxy-4,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440479
2-methoxy-4,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 110660663

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 90536200) is N-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NCc1cc(C)oc1C.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is SFOQBROTJAXJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4S/c1-10-6-15(20-5)16(7-11(10)2)22(18,19)17-9-14-8-12(3)21-13(14)4/h6-8,17H,9H2,1-5H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 323.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 90536200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).