3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide

C9H8BrN3O4S2 — CID 10546830

IUPAC3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
SMILESCc1noc(NS(=O)(=O)c2ccsc2C(N)=O)c1Br
InChIInChI=1S/C9H8BrN3O4S2/c1-4-6(10)9(17-12-4)13-19(15,16)5-2-3-18-7(5)8(11)14/h2-3,13H,1H3,(H2,11,14)
InChIKeyFSUWQETZHKACGA-UHFFFAOYSA-N
MW366.22 g/mol
LogP1.71
Rot. Bonds4

About 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide

3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide (PubChem CID 10546830) has the molecular formula C9H8BrN3O4S2 and a molecular weight of 366.22 g/mol. Its IUPAC name is 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
PubChem CID10546830
Molecular FormulaC9H8BrN3O4S2
Molecular Weight366.22 g/mol
Exact Mass364.91
IUPAC Name3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
SMILESCc1noc(NS(=O)(=O)c2ccsc2C(N)=O)c1Br
InChIInChI=1S/C9H8BrN3O4S2/c1-4-6(10)9(17-12-4)13-19(15,16)5-2-3-18-7(5)8(11)14/h2-3,13H,1H3,(H2,11,14)
InChIKeyFSUWQETZHKACGA-UHFFFAOYSA-N
XLogP1.71
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid phenylamide
CID 10503334
N-(4-bromo-3-methyl-5-isoxazolyl)-2-[(4-methylphenyl)acetyl]thiophene-3-sulfonamide
CID 10695071
3-(4-Bromo-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid benzylamide
CID 10766198
3-(4-Propyl-phenyl)-thiophene-2-sulfonic acid (4-bromo-3-methyl-isoxazol-5-yl)-amide
CID 10275056
N-(4-Bromo-3-methyl-5-isoxazolyl)-2-(carbomethoxy)thiophene-3-sulfonamide
CID 10833686
2-Phenyl-thiophene-3-sulfonic acid (4-bromo-3-methyl-isoxazol-5-yl)-amide
CID 22998396
3-(2-p-Tolyl-ethyl)-thiophene-2-sulfonic acid (4-bromo-3-methyl-isoxazol-5-yl)-amide
CID 23445272
3-(4-Butyl-phenyl)-thiophene-2-sulfonic acid (4-bromo-3-methyl-isoxazol-5-yl)-amide
CID 23445285
3-(4-Ethyl-phenyl)-thiophene-2-sulfonic acid (4-bromo-3-methyl-isoxazol-5-yl)-amide
CID 23445354
3-m-Tolyl-thiophene-2-sulfonic acid (4-bromo-3-methyl-isoxazol-5-yl)-amide
CID 23445358
3-Phenyl-thiophene-2-sulfonic acid (4-bromo-3-methyl-isoxazol-5-yl)-amide
CID 23445388
3-o-Tolyl-thiophene-2-sulfonic acid (4-bromo-3-methyl-isoxazol-5-yl)-amide
CID 23445410

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide (CID 10546830) is 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide is Cc1noc(NS(=O)(=O)c2ccsc2C(N)=O)c1Br.
What is the InChIKey of 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
The InChIKey is FSUWQETZHKACGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O4S2/c1-4-6(10)9(17-12-4)13-19(15,16)5-2-3-18-7(5)8(11)14/h2-3,13H,1H3,(H2,11,14).
What are the key properties of 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide has a molecular weight of 366.22 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 10546830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).