3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide

C11H11BrN2O3S3 — CID 47286704

IUPAC3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2sccc2Br)s1
InChIInChI=1S/C11H11BrN2O3S3/c12-8-4-6-18-10(8)11(15)14-5-3-7-1-2-9(19-7)20(13,16)17/h1-2,4,6H,3,5H2,(H,14,15)(H2,13,16,17)
InChIKeyCJYADCCOUPTIMO-UHFFFAOYSA-N
MW395.33 g/mol
LogP2.19
Rot. Bonds5

About 3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide

3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 47286704) has the molecular formula C11H11BrN2O3S3 and a molecular weight of 395.33 g/mol. Its IUPAC name is 3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID47286704
Molecular FormulaC11H11BrN2O3S3
Molecular Weight395.33 g/mol
Exact Mass393.91
IUPAC Name3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2sccc2Br)s1
InChIInChI=1S/C11H11BrN2O3S3/c12-8-4-6-18-10(8)11(15)14-5-3-7-1-2-9(19-7)20(13,16)17/h1-2,4,6H,3,5H2,(H,14,15)(H2,13,16,17)
InChIKeyCJYADCCOUPTIMO-UHFFFAOYSA-N
XLogP2.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47246546
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246441
3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide
CID 107519551
4-hydroxy-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 61128277
4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246453
3-chloro-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 80642639
5-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]furan-3-carboxamide
CID 114822706
3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 24658577
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
CID 43133898
2-oxo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide
CID 61129579
1,5-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrole-2-carboxamide
CID 60976637
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide (CID 47286704) is 3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2sccc2Br)s1.
What is the InChIKey of 3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is CJYADCCOUPTIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3S3/c12-8-4-6-18-10(8)11(15)14-5-3-7-1-2-9(19-7)20(13,16)17/h1-2,4,6H,3,5H2,(H,14,15)(H2,13,16,17).
What are the key properties of 3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 395.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 47286704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).