4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide

C19H21NO5S — CID 113095488

IUPAC4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2c3c(cc4c2OCC4)OCC3)cc1C
InChIInChI=1S/C19H21NO5S/c1-11-9-17(12(2)8-15(11)23-3)26(21,22)20-18-14-5-7-24-16(14)10-13-4-6-25-19(13)18/h8-10,20H,4-7H2,1-3H3
InChIKeyBEYKREISHYDZGK-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.98
Rot. Bonds4

About 4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide

4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide (PubChem CID 113095488) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide
PubChem CID113095488
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2c3c(cc4c2OCC4)OCC3)cc1C
InChIInChI=1S/C19H21NO5S/c1-11-9-17(12(2)8-15(11)23-3)26(21,22)20-18-14-5-7-24-16(14)10-13-4-6-25-19(13)18/h8-10,20H,4-7H2,1-3H3
InChIKeyBEYKREISHYDZGK-UHFFFAOYSA-N
XLogP2.98
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide with MolForge

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Related Compounds

4-fluoro-2-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide
CID 113095477
4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide
CID 113095476
3,4-dimethoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide
CID 113095413
N-(3-chloro-4-methoxyphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
CID 113199869
1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199696
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 56511564
N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 100693973
N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 100693981
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 2236619
2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
CID 113095348
(3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-ylamino) 4-methylbenzenesulfonate
CID 57300277
methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate
CID 116986293

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide (CID 113095488) is 4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2c3c(cc4c2OCC4)OCC3)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide?
The InChIKey is BEYKREISHYDZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-11-9-17(12(2)8-15(11)23-3)26(21,22)20-18-14-5-7-24-16(14)10-13-4-6-25-19(13)18/h8-10,20H,4-7H2,1-3H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide is sourced from PubChem (CID 113095488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).