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

C20H25NO5S — CID 9189967

IUPAC4-ethoxy-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cc3c(cc2OCC)C[C@H](C)O3)cc1
InChIInChI=1S/C20H25NO5S/c1-4-24-17-6-8-18(9-7-17)27(22,23)21-13-16-12-20-15(10-14(3)26-20)11-19(16)25-5-2/h6-9,11-12,14,21H,4-5,10,13H2,1-3H3/t14-/m0/s1
InChIKeyIWNOTWBKDWLMSO-AWEZNQCLSA-N
MW391.49 g/mol
LogP3.29
Rot. Bonds8

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

4-ethoxy-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]benzenesulfonamide (PubChem CID 9189967) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-ethoxy-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]benzenesulfonamide
PubChem CID9189967
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Name4-ethoxy-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cc3c(cc2OCC)C[C@H](C)O3)cc1
InChIInChI=1S/C20H25NO5S/c1-4-24-17-6-8-18(9-7-17)27(22,23)21-13-16-12-20-15(10-14(3)26-20)11-19(16)25-5-2/h6-9,11-12,14,21H,4-5,10,13H2,1-3H3/t14-/m0/s1
InChIKeyIWNOTWBKDWLMSO-AWEZNQCLSA-N
XLogP3.29
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-methylbenzenesulfonamide
CID 9189966
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-fluorobenzenesulfonamide
CID 9189970
N-[4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfamoyl]phenyl]acetamide
CID 9189959
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 9190059
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3,4-difluorobenzenesulfonamide
CID 9190068
3-chloro-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]benzenesulfonamide
CID 9189987
3-(dimethylamino)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]benzenesulfonamide
CID 75511438
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 9190049
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24550255
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 9190077
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 41214808
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methoxybenzenesulfonamide
CID 25358847

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]benzenesulfonamide (CID 9189967) is 4-ethoxy-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2cc3c(cc2OCC)C[C@H](C)O3)cc1.
What is the InChIKey of 4-ethoxy-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]benzenesulfonamide?
The InChIKey is IWNOTWBKDWLMSO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-4-24-17-6-8-18(9-7-17)27(22,23)21-13-16-12-20-15(10-14(3)26-20)11-19(16)25-5-2/h6-9,11-12,14,21H,4-5,10,13H2,1-3H3/t14-/m0/s1.
What are the key properties of 4-ethoxy-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]benzenesulfonamide?
4-ethoxy-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]benzenesulfonamide has a molecular weight of 391.49 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 9189967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).