2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide

C20H23NO4S — CID 113095348

IUPAC2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2c3c(cc4c2OCC4)OCC3)c(C)c1
InChIInChI=1S/C20H23NO4S/c1-12-8-13(2)20(14(3)9-12)26(22,23)21-11-17-16-5-7-24-18(16)10-15-4-6-25-19(15)17/h8-10,21H,4-7,11H2,1-3H3
InChIKeyTTYUFLWRZCRWPK-UHFFFAOYSA-N
MW373.47 g/mol
LogP2.96
Rot. Bonds4

About 2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide

2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide (PubChem CID 113095348) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
PubChem CID113095348
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2c3c(cc4c2OCC4)OCC3)c(C)c1
InChIInChI=1S/C20H23NO4S/c1-12-8-13(2)20(14(3)9-12)26(22,23)21-11-17-16-5-7-24-18(16)10-15-4-6-25-19(15)17/h8-10,21H,4-7,11H2,1-3H3
InChIKeyTTYUFLWRZCRWPK-UHFFFAOYSA-N
XLogP2.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide with MolForge

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Related Compounds

4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
CID 113095349
N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113095346
N-(1,3-benzodioxol-5-ylmethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-sulfonamide
CID 113199794
ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate
CID 113095323
1-prop-2-enyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217708
1-[(4-methylphenyl)methyl]-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217578
N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propane-1-sulfonamide
CID 113096080
N-(2,5-dimethylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199470
N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199444
1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217817
N-cyclopropyl-2,5-dimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide
CID 113096402
4-fluoro-3-methyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzenesulfonamide
CID 113095476

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide (CID 113095348) is 2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2c3c(cc4c2OCC4)OCC3)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide?
The InChIKey is TTYUFLWRZCRWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-12-8-13(2)20(14(3)9-12)26(22,23)21-11-17-16-5-7-24-18(16)10-15-4-6-25-19(15)17/h8-10,21H,4-7,11H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide?
2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide has a molecular weight of 373.47 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 113095348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).