3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide

C21H27NO6S — CID 18109058

IUPAC3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide
SMILESCCOc1cc2c(cc1NS(=O)(=O)c1ccc(OCC)c(OCC)c1)OC(C)C2
InChIInChI=1S/C21H27NO6S/c1-5-25-18-9-8-16(12-21(18)27-7-3)29(23,24)22-17-13-19-15(10-14(4)28-19)11-20(17)26-6-2/h8-9,11-14,22H,5-7,10H2,1-4H3
InChIKeyUXRUBKRJNDVYNE-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.01
Rot. Bonds9

About 3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide

3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide (PubChem CID 18109058) has the molecular formula C21H27NO6S and a molecular weight of 421.52 g/mol. Its IUPAC name is 3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide
PubChem CID18109058
Molecular FormulaC21H27NO6S
Molecular Weight421.52 g/mol
Exact Mass421.16
IUPAC Name3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide
SMILESCCOc1cc2c(cc1NS(=O)(=O)c1ccc(OCC)c(OCC)c1)OC(C)C2
InChIInChI=1S/C21H27NO6S/c1-5-25-18-9-8-16(12-21(18)27-7-3)29(23,24)22-17-13-19-15(10-14(4)28-19)11-20(17)26-6-2/h8-9,11-14,22H,5-7,10H2,1-4H3
InChIKeyUXRUBKRJNDVYNE-UHFFFAOYSA-N
XLogP4.01
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide
CID 25358782
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide
CID 25358847
3-bromo-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide
CID 25358861
4-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]sulfamoyl]benzoic acid
CID 25358788
4-acetyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide
CID 17491170
3-cyano-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide
CID 25358778
3-acetyl-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide
CID 25358836
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 43053212
methyl 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)sulfamoyl]benzoate
CID 42888738
2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide
CID 24629224
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 24541041
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 9190059

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide?
The IUPAC name of 3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide (CID 18109058) is 3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide?
The canonical SMILES for 3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide is CCOc1cc2c(cc1NS(=O)(=O)c1ccc(OCC)c(OCC)c1)OC(C)C2.
What is the InChIKey of 3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide?
The InChIKey is UXRUBKRJNDVYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO6S/c1-5-25-18-9-8-16(12-21(18)27-7-3)29(23,24)22-17-13-19-15(10-14(4)28-19)11-20(17)26-6-2/h8-9,11-14,22H,5-7,10H2,1-4H3.
What are the key properties of 3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide?
3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide has a molecular weight of 421.52 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide is sourced from PubChem (CID 18109058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).