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

C17H17NO5S3 — CID 71804213

IUPACmethyl 3-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(CCc1cccs1)Cc1ccoc1
InChIInChI=1S/C17H17NO5S3/c1-22-17(19)16-15(6-10-25-16)26(20,21)18(11-13-5-8-23-12-13)7-4-14-3-2-9-24-14/h2-3,5-6,8-10,12H,4,7,11H2,1H3
InChIKeyXABFZFXIOSJVJE-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.62
Rot. Bonds8

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

methyl 3-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 71804213) has the molecular formula C17H17NO5S3 and a molecular weight of 411.53 g/mol. Its IUPAC name is methyl 3-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID71804213
Molecular FormulaC17H17NO5S3
Molecular Weight411.53 g/mol
Exact Mass411.03
IUPAC Namemethyl 3-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(CCc1cccs1)Cc1ccoc1
InChIInChI=1S/C17H17NO5S3/c1-22-17(19)16-15(6-10-25-16)26(20,21)18(11-13-5-8-23-12-13)7-4-14-3-2-9-24-14/h2-3,5-6,8-10,12H,4,7,11H2,1H3
InChIKeyXABFZFXIOSJVJE-UHFFFAOYSA-N
XLogP3.62
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.62
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-thiophen-2-ylethyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]thiophene-2-carboxylate (CID 71804213) is methyl 3-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N(CCc1cccs1)Cc1ccoc1.
What is the InChIKey of methyl 3-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is XABFZFXIOSJVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S3/c1-22-17(19)16-15(6-10-25-16)26(20,21)18(11-13-5-8-23-12-13)7-4-14-3-2-9-24-14/h2-3,5-6,8-10,12H,4,7,11H2,1H3.
What are the key properties of methyl 3-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[furan-3-ylmethyl(2-thiophen-2-ylethyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 411.53 g/mol, XLogP of 3.62, 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-thiophen-2-ylethyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 71804213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).