ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate

C19H19NO5S — CID 9189690

IUPACethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H19NO5S/c1-3-24-19(21)14-8-10-16(11-9-14)26(22,23)20-13(2)18-12-15-6-4-5-7-17(15)25-18/h4-13,20H,3H2,1-2H3/t13-/m0/s1
InChIKeyFXXRZXMAJRYLOX-ZDUSSCGKSA-N
MW373.43 g/mol
LogP3.65
Rot. Bonds6

About ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate

ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate (PubChem CID 9189690) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate
PubChem CID9189690
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Nameethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H19NO5S/c1-3-24-19(21)14-8-10-16(11-9-14)26(22,23)20-13(2)18-12-15-6-4-5-7-17(15)25-18/h4-13,20H,3H2,1-2H3/t13-/m0/s1
InChIKeyFXXRZXMAJRYLOX-ZDUSSCGKSA-N
XLogP3.65
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3-methylbutan-2-ylsulfamoyl)benzoate
CID 51169036
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9367554
ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate
CID 4878822
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 9189772
3-N-[1-(1-benzofuran-2-yl)ethyl]benzene-1,3-disulfonamide
CID 86916872
ethyl 3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]-5-nitrobenzoate
CID 9367811
ethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate
CID 55598192
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
CID 26383582
(2S,3S)-2-[(4-ethoxycarbonylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 119126274
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2,3,4-trifluorobenzenesulfonamide
CID 9189706
ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoate
CID 46596027
methyl (2S)-3-(1-benzofuran-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 122404349

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate?
The IUPAC name of ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate (CID 9189690) is ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2cc3ccccc3o2)cc1.
What is the InChIKey of ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate?
The InChIKey is FXXRZXMAJRYLOX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-3-24-19(21)14-8-10-16(11-9-14)26(22,23)20-13(2)18-12-15-6-4-5-7-17(15)25-18/h4-13,20H,3H2,1-2H3/t13-/m0/s1.
What are the key properties of ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate?
ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate has a molecular weight of 373.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate is sourced from PubChem (CID 9189690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).