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

C18H18BrN3O4S2 — CID 10672494

IUPAC3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide
SMILESCc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc(C(C)C)cc2)c1Br
InChIInChI=1S/C18H18BrN3O4S2/c1-10(2)12-4-6-13(7-5-12)20-17(23)16-14(8-9-27-16)28(24,25)22-18-15(19)11(3)21-26-18/h4-10,22H,1-3H3,(H,20,23)
InChIKeyBFXDKRQKGCLOJU-UHFFFAOYSA-N
MW484.40 g/mol
LogP4.98
Rot. Bonds6

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

3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide (PubChem CID 10672494) has the molecular formula C18H18BrN3O4S2 and a molecular weight of 484.40 g/mol. Its IUPAC name is 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide
PubChem CID10672494
Molecular FormulaC18H18BrN3O4S2
Molecular Weight484.40 g/mol
Exact Mass482.99
IUPAC Name3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide
SMILESCc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc(C(C)C)cc2)c1Br
InChIInChI=1S/C18H18BrN3O4S2/c1-10(2)12-4-6-13(7-5-12)20-17(23)16-14(8-9-27-16)28(24,25)22-18-15(19)11(3)21-26-18/h4-10,22H,1-3H3,(H,20,23)
InChIKeyBFXDKRQKGCLOJU-UHFFFAOYSA-N
XLogP4.98
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.40
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-butylphenyl)thiophene-2-carboxamide
CID 10577255
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(imidazole-1-carbonyl)thiophene-3-sulfonamide
CID 10788100
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 70060324
(3-methylphenyl) 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 23445317
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(2-phenylethenyl)thiophene-3-sulfonamide
CID 54011826
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-methyl-1,3-benzodioxol-5-yl)thiophene-2-carboxamide
CID 10226215
methyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 10615322
sodium 3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenolate
CID 23688225
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-3-sulfamoylthiophene-2-carboxamide
CID 23445526
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,3,4,6-tetramethoxyphenyl)thiophene-2-carboxamide
CID 10186213
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(3-cyano-2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 10837875
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide
CID 70248457

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide (CID 10672494) is 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide is Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc(C(C)C)cc2)c1Br.
What is the InChIKey of 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide?
The InChIKey is BFXDKRQKGCLOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O4S2/c1-10(2)12-4-6-13(7-5-12)20-17(23)16-14(8-9-27-16)28(24,25)22-18-15(19)11(3)21-26-18/h4-10,22H,1-3H3,(H,20,23).
What are the key properties of 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide?
3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide has a molecular weight of 484.40 g/mol, XLogP of 4.98, 6 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]-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10672494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).