N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-methyl-4-propoxybenzenesulfonamide

C18H25NO5S — CID 90582820

IUPACN-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-methyl-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)N(CCOC)Cc2ccoc2)cc1C
InChIInChI=1S/C18H25NO5S/c1-4-9-24-18-6-5-17(12-15(18)2)25(20,21)19(8-11-22-3)13-16-7-10-23-14-16/h5-7,10,12,14H,4,8-9,11,13H2,1-3H3
InChIKeyDMGOZBCROUUJOO-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.21
Rot. Bonds10

About N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-methyl-4-propoxybenzenesulfonamide

N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-methyl-4-propoxybenzenesulfonamide (PubChem CID 90582820) has the molecular formula C18H25NO5S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-methyl-4-propoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-methyl-4-propoxybenzenesulfonamide
PubChem CID90582820
Molecular FormulaC18H25NO5S
Molecular Weight367.47 g/mol
Exact Mass367.15
IUPAC NameN-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-methyl-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)N(CCOC)Cc2ccoc2)cc1C
InChIInChI=1S/C18H25NO5S/c1-4-9-24-18-6-5-17(12-15(18)2)25(20,21)19(8-11-22-3)13-16-7-10-23-14-16/h5-7,10,12,14H,4,8-9,11,13H2,1-3H3
InChIKeyDMGOZBCROUUJOO-UHFFFAOYSA-N
XLogP3.21
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
CID 90582794
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)propane-1-sulfonamide
CID 90582754
N-(furan-3-ylmethyl)-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 90582774
N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide
CID 47358994
4-ethoxy-N-(2-hydroxyethyl)-3-methyl-N-propylbenzenesulfonamide
CID 61425664
4-methoxy-N-(2-methoxyethyl)-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 52906847
N-ethyl-N-(furan-3-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75476531
N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 120584192
N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide
CID 63287373
N-benzyl-N-cyclopropyl-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46418348
4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 55639103
[2-methoxy-5-[[2-methoxyethyl-(4-methoxyphenyl)sulfonylamino]methyl]phenyl] methanesulfonate
CID 3425257

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-methyl-4-propoxybenzenesulfonamide?
The IUPAC name of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-methyl-4-propoxybenzenesulfonamide (CID 90582820) is N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-methyl-4-propoxybenzenesulfonamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-methyl-4-propoxybenzenesulfonamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-methyl-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)N(CCOC)Cc2ccoc2)cc1C.
What is the InChIKey of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-methyl-4-propoxybenzenesulfonamide?
The InChIKey is DMGOZBCROUUJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5S/c1-4-9-24-18-6-5-17(12-15(18)2)25(20,21)19(8-11-22-3)13-16-7-10-23-14-16/h5-7,10,12,14H,4,8-9,11,13H2,1-3H3.
What are the key properties of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-methyl-4-propoxybenzenesulfonamide?
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-methyl-4-propoxybenzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 3.21, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-methyl-4-propoxybenzenesulfonamide is sourced from PubChem (CID 90582820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).