methyl 3-[furan-3-ylmethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylate

C14H17NO6S2 — CID 71804020

IUPACmethyl 3-[furan-3-ylmethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOCCN(Cc1ccoc1)S(=O)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C14H17NO6S2/c1-19-7-5-15(9-11-3-6-21-10-11)23(17,18)12-4-8-22-13(12)14(16)20-2/h3-4,6,8,10H,5,7,9H2,1-2H3
InChIKeyHTVDQFVMWLEYIJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.97
Rot. Bonds8

About methyl 3-[furan-3-ylmethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[furan-3-ylmethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 71804020) has the molecular formula C14H17NO6S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is methyl 3-[furan-3-ylmethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[furan-3-ylmethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID71804020
Molecular FormulaC14H17NO6S2
Molecular Weight359.43 g/mol
Exact Mass359.05
IUPAC Namemethyl 3-[furan-3-ylmethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOCCN(Cc1ccoc1)S(=O)(=O)c1ccsc1C(=O)OC
InChIInChI=1S/C14H17NO6S2/c1-19-7-5-15(9-11-3-6-21-10-11)23(17,18)12-4-8-22-13(12)14(16)20-2/h3-4,6,8,10H,5,7,9H2,1-2H3
InChIKeyHTVDQFVMWLEYIJ-UHFFFAOYSA-N
XLogP1.97
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[furan-3-ylmethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[furan-3-ylmethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylate (CID 71804020) is methyl 3-[furan-3-ylmethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[furan-3-ylmethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[furan-3-ylmethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylate is COCCN(Cc1ccoc1)S(=O)(=O)c1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-[furan-3-ylmethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is HTVDQFVMWLEYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6S2/c1-19-7-5-15(9-11-3-6-21-10-11)23(17,18)12-4-8-22-13(12)14(16)20-2/h3-4,6,8,10H,5,7,9H2,1-2H3.
What are the key properties of methyl 3-[furan-3-ylmethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[furan-3-ylmethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 1.97, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[furan-3-ylmethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 71804020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).