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

C14H17NO6S3 — CID 122162633

IUPACmethyl 3-[[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCC(OCCO)c1ccsc1
InChIInChI=1S/C14H17NO6S3/c1-20-14(17)13-12(3-7-23-13)24(18,19)15-8-11(21-5-4-16)10-2-6-22-9-10/h2-3,6-7,9,11,15-16H,4-5,8H2,1H3
InChIKeyTZKVCRJGGDTAIW-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.62
Rot. Bonds9

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

methyl 3-[[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 122162633) has the molecular formula C14H17NO6S3 and a molecular weight of 391.49 g/mol. Its IUPAC name is methyl 3-[[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]sulfamoyl]thiophene-2-carboxylate
PubChem CID122162633
Molecular FormulaC14H17NO6S3
Molecular Weight391.49 g/mol
Exact Mass391.02
IUPAC Namemethyl 3-[[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCC(OCCO)c1ccsc1
InChIInChI=1S/C14H17NO6S3/c1-20-14(17)13-12(3-7-23-13)24(18,19)15-8-11(21-5-4-16)10-2-6-22-9-10/h2-3,6-7,9,11,15-16H,4-5,8H2,1H3
InChIKeyTZKVCRJGGDTAIW-UHFFFAOYSA-N
XLogP1.62
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]sulfamoyl]thiophene-2-carboxylate (CID 122162633) is methyl 3-[[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCC(OCCO)c1ccsc1.
What is the InChIKey of methyl 3-[[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is TZKVCRJGGDTAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6S3/c1-20-14(17)13-12(3-7-23-13)24(18,19)15-8-11(21-5-4-16)10-2-6-22-9-10/h2-3,6-7,9,11,15-16H,4-5,8H2,1H3.
What are the key properties of methyl 3-[[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 391.49 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 122162633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).