O-ethyl 7-(furan-2-ylsulfonylamino)-1-(methoxymethyl)indole-2-carbothioate

C17H18N2O5S2 — CID 59356792

IUPACO-ethyl 7-(furan-2-ylsulfonylamino)-1-(methoxymethyl)indole-2-carbothioate
SMILESCCOC(=S)c1cc2cccc(NS(=O)(=O)c3ccco3)c2n1COC
InChIInChI=1S/C17H18N2O5S2/c1-3-23-17(25)14-10-12-6-4-7-13(16(12)19(14)11-22-2)18-26(20,21)15-8-5-9-24-15/h4-10,18H,3,11H2,1-2H3
InChIKeyQAAGXWHBIPLEFY-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.35
Rot. Bonds7

About O-ethyl 7-(furan-2-ylsulfonylamino)-1-(methoxymethyl)indole-2-carbothioate

O-ethyl 7-(furan-2-ylsulfonylamino)-1-(methoxymethyl)indole-2-carbothioate (PubChem CID 59356792) has the molecular formula C17H18N2O5S2 and a molecular weight of 394.47 g/mol. Its IUPAC name is O-ethyl 7-(furan-2-ylsulfonylamino)-1-(methoxymethyl)indole-2-carbothioate.

Molecular Properties

Compound NameO-ethyl 7-(furan-2-ylsulfonylamino)-1-(methoxymethyl)indole-2-carbothioate
PubChem CID59356792
Molecular FormulaC17H18N2O5S2
Molecular Weight394.47 g/mol
Exact Mass394.07
IUPAC NameO-ethyl 7-(furan-2-ylsulfonylamino)-1-(methoxymethyl)indole-2-carbothioate
SMILESCCOC(=S)c1cc2cccc(NS(=O)(=O)c3ccco3)c2n1COC
InChIInChI=1S/C17H18N2O5S2/c1-3-23-17(25)14-10-12-6-4-7-13(16(12)19(14)11-22-2)18-26(20,21)15-8-5-9-24-15/h4-10,18H,3,11H2,1-2H3
InChIKeyQAAGXWHBIPLEFY-UHFFFAOYSA-N
XLogP3.35
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(methoxymethyl)-7-[(3-methyl-2-pyridinyl)sulfonylamino]indole-2-carboxylate
CID 67486812
N-[3-(tert-butylsulfinylmethyl)phenyl]furan-2-sulfonamide
CID 146091656
methyl 4-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]sulfamoyl]benzoate
CID 1138763
3-(furan-2-ylsulfonylamino)-4-methoxy-3-methylbutanoic acid
CID 154865107
5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 83276291
3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide
CID 54867068
ethyl 4-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoate
CID 3950325
N-pentylfuran-2-sulfonamide
CID 21064582
ethyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 19683974
ethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 166324663
ethyl 5-(furan-2-yl)-3-oxopentanoate
CID 10846117
ethyl 2-(furan-2-ylmethylsulfonyl)acetate
CID 15626811

Frequently Asked Questions

What is the IUPAC name of O-ethyl 7-(furan-2-ylsulfonylamino)-1-(methoxymethyl)indole-2-carbothioate?
The IUPAC name of O-ethyl 7-(furan-2-ylsulfonylamino)-1-(methoxymethyl)indole-2-carbothioate (CID 59356792) is O-ethyl 7-(furan-2-ylsulfonylamino)-1-(methoxymethyl)indole-2-carbothioate.
What is the SMILES notation for O-ethyl 7-(furan-2-ylsulfonylamino)-1-(methoxymethyl)indole-2-carbothioate?
The canonical SMILES for O-ethyl 7-(furan-2-ylsulfonylamino)-1-(methoxymethyl)indole-2-carbothioate is CCOC(=S)c1cc2cccc(NS(=O)(=O)c3ccco3)c2n1COC.
What is the InChIKey of O-ethyl 7-(furan-2-ylsulfonylamino)-1-(methoxymethyl)indole-2-carbothioate?
The InChIKey is QAAGXWHBIPLEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S2/c1-3-23-17(25)14-10-12-6-4-7-13(16(12)19(14)11-22-2)18-26(20,21)15-8-5-9-24-15/h4-10,18H,3,11H2,1-2H3.
What are the key properties of O-ethyl 7-(furan-2-ylsulfonylamino)-1-(methoxymethyl)indole-2-carbothioate?
O-ethyl 7-(furan-2-ylsulfonylamino)-1-(methoxymethyl)indole-2-carbothioate has a molecular weight of 394.47 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethyl 7-(furan-2-ylsulfonylamino)-1-(methoxymethyl)indole-2-carbothioate is sourced from PubChem (CID 59356792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).