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

C19H21NO5S — CID 17491170

IUPAC4-acetyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide
SMILESCCOc1cc2c(cc1NS(=O)(=O)c1ccc(C(C)=O)cc1)OC(C)C2
InChIInChI=1S/C19H21NO5S/c1-4-24-19-10-15-9-12(2)25-18(15)11-17(19)20-26(22,23)16-7-5-14(6-8-16)13(3)21/h5-8,10-12,20H,4,9H2,1-3H3
InChIKeyFJMDTKMOJRSIAI-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.41
Rot. Bonds6

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

4-acetyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide (PubChem CID 17491170) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-acetyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide
PubChem CID17491170
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name4-acetyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide
SMILESCCOc1cc2c(cc1NS(=O)(=O)c1ccc(C(C)=O)cc1)OC(C)C2
InChIInChI=1S/C19H21NO5S/c1-4-24-19-10-15-9-12(2)25-18(15)11-17(19)20-26(22,23)16-7-5-14(6-8-16)13(3)21/h5-8,10-12,20H,4,9H2,1-3H3
InChIKeyFJMDTKMOJRSIAI-UHFFFAOYSA-N
XLogP3.41
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]sulfamoyl]benzoic acid
CID 25358788
3-acetyl-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide
CID 25358836
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
3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide
CID 18109058
methyl 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)sulfamoyl]benzoate
CID 42888738
3-bromo-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide
CID 25358861
3-cyano-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide
CID 25358778
(2R)-N-(4-acetylphenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide
CID 25360341
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 43053212
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 24541041
2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzenesulfonamide
CID 24629224

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide (CID 17491170) is 4-acetyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide is CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C(C)=O)cc1)OC(C)C2.
What is the InChIKey of 4-acetyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide?
The InChIKey is FJMDTKMOJRSIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-4-24-19-10-15-9-12(2)25-18(15)11-17(19)20-26(22,23)16-7-5-14(6-8-16)13(3)21/h5-8,10-12,20H,4,9H2,1-3H3.
What are the key properties of 4-acetyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide?
4-acetyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide is sourced from PubChem (CID 17491170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).