N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide

C18H21NO5S — CID 25358847

IUPACN-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide
SMILESCCOc1cc2c(cc1NS(=O)(=O)c1ccc(OC)cc1)O[C@H](C)C2
InChIInChI=1S/C18H21NO5S/c1-4-23-18-10-13-9-12(2)24-17(13)11-16(18)19-25(20,21)15-7-5-14(22-3)6-8-15/h5-8,10-12,19H,4,9H2,1-3H3/t12-/m1/s1
InChIKeyXGRNCLPAJODACH-GFCCVEGCSA-N
MW363.44 g/mol
LogP3.22
Rot. Bonds6

About N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide

N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide (PubChem CID 25358847) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide
PubChem CID25358847
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC NameN-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide
SMILESCCOc1cc2c(cc1NS(=O)(=O)c1ccc(OC)cc1)O[C@H](C)C2
InChIInChI=1S/C18H21NO5S/c1-4-23-18-10-13-9-12(2)24-17(13)11-16(18)19-25(20,21)15-7-5-14(22-3)6-8-15/h5-8,10-12,19H,4,9H2,1-3H3/t12-/m1/s1
InChIKeyXGRNCLPAJODACH-GFCCVEGCSA-N
XLogP3.22
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-fluorobenzenesulfonamide
CID 25358782
3,4-diethoxy-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide
CID 18109058
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-bromo-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide
CID 25358861
methyl 3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)sulfamoyl]benzoate
CID 42888738
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
4-ethoxy-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]benzenesulfonamide
CID 9189967
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24550255
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 N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide (CID 25358847) is N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide is CCOc1cc2c(cc1NS(=O)(=O)c1ccc(OC)cc1)O[C@H](C)C2.
What is the InChIKey of N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide?
The InChIKey is XGRNCLPAJODACH-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-4-23-18-10-13-9-12(2)24-17(13)11-16(18)19-25(20,21)15-7-5-14(22-3)6-8-15/h5-8,10-12,19H,4,9H2,1-3H3/t12-/m1/s1.
What are the key properties of N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide?
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 25358847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).