2-(4-sulfamoylphenoxy)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide

C17H17N3O4S3 — CID 110221751

IUPAC2-(4-sulfamoylphenoxy)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
SMILESNS(=O)(=O)c1ccc(OCC(=O)NC(Cc2cccs2)c2nccs2)cc1
InChIInChI=1S/C17H17N3O4S3/c18-27(22,23)14-5-3-12(4-6-14)24-11-16(21)20-15(17-19-7-9-26-17)10-13-2-1-8-25-13/h1-9,15H,10-11H2,(H,20,21)(H2,18,22,23)
InChIKeyBRVMSGVIESBUKV-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.33
Rot. Bonds8

About 2-(4-sulfamoylphenoxy)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide

2-(4-sulfamoylphenoxy)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide (PubChem CID 110221751) has the molecular formula C17H17N3O4S3 and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-(4-sulfamoylphenoxy)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-sulfamoylphenoxy)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
PubChem CID110221751
Molecular FormulaC17H17N3O4S3
Molecular Weight423.54 g/mol
Exact Mass423.04
IUPAC Name2-(4-sulfamoylphenoxy)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
SMILESNS(=O)(=O)c1ccc(OCC(=O)NC(Cc2cccs2)c2nccs2)cc1
InChIInChI=1S/C17H17N3O4S3/c18-27(22,23)14-5-3-12(4-6-14)24-11-16(21)20-15(17-19-7-9-26-17)10-13-2-1-8-25-13/h1-9,15H,10-11H2,(H,20,21)(H2,18,22,23)
InChIKeyBRVMSGVIESBUKV-UHFFFAOYSA-N
XLogP2.33
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenoxy)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(4-sulfamoylphenoxy)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide (CID 110221751) is 2-(4-sulfamoylphenoxy)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(4-sulfamoylphenoxy)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(4-sulfamoylphenoxy)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide is NS(=O)(=O)c1ccc(OCC(=O)NC(Cc2cccs2)c2nccs2)cc1.
What is the InChIKey of 2-(4-sulfamoylphenoxy)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The InChIKey is BRVMSGVIESBUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S3/c18-27(22,23)14-5-3-12(4-6-14)24-11-16(21)20-15(17-19-7-9-26-17)10-13-2-1-8-25-13/h1-9,15H,10-11H2,(H,20,21)(H2,18,22,23).
What are the key properties of 2-(4-sulfamoylphenoxy)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
2-(4-sulfamoylphenoxy)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide has a molecular weight of 423.54 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylphenoxy)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 110221751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).