2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide

C17H16BrN3O3S3 — CID 55855510

IUPAC2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H16BrN3O3S3/c1-10(11-2-4-14(5-3-11)27(19,23)24)20-16(22)7-13-9-26-17(21-13)15-6-12(18)8-25-15/h2-6,8-10H,7H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyOPQGFHMKWBSJQS-UHFFFAOYSA-N
MW486.44 g/mol
LogP3.70
Rot. Bonds6

About 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide

2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 55855510) has the molecular formula C17H16BrN3O3S3 and a molecular weight of 486.44 g/mol. Its IUPAC name is 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID55855510
Molecular FormulaC17H16BrN3O3S3
Molecular Weight486.44 g/mol
Exact Mass484.95
IUPAC Name2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H16BrN3O3S3/c1-10(11-2-4-14(5-3-11)27(19,23)24)20-16(22)7-13-9-26-17(21-13)15-6-12(18)8-25-15/h2-6,8-10H,7H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyOPQGFHMKWBSJQS-UHFFFAOYSA-N
XLogP3.70
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide (CID 55855510) is 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide is CC(NC(=O)Cc1csc(-c2cc(Br)cs2)n1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is OPQGFHMKWBSJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3S3/c1-10(11-2-4-14(5-3-11)27(19,23)24)20-16(22)7-13-9-26-17(21-13)15-6-12(18)8-25-15/h2-6,8-10H,7H2,1H3,(H,20,22)(H2,19,23,24).
What are the key properties of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 486.44 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 55855510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).