4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide

C16H14FN3O4S2 — CID 6503728

IUPAC4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)cs2)no1
InChIInChI=1S/C16H14FN3O4S2/c1-10-7-15(19-24-10)18-16(21)14-8-13(9-25-14)26(22,23)20(2)12-5-3-11(17)4-6-12/h3-9H,1-2H3,(H,18,19,21)
InChIKeyWIAAAFYWZQRLGP-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.26
Rot. Bonds5

About 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide

4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide (PubChem CID 6503728) has the molecular formula C16H14FN3O4S2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
PubChem CID6503728
Molecular FormulaC16H14FN3O4S2
Molecular Weight395.44 g/mol
Exact Mass395.04
IUPAC Name4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)cs2)no1
InChIInChI=1S/C16H14FN3O4S2/c1-10-7-15(19-24-10)18-16(21)14-8-13(9-25-14)26(22,23)20(2)12-5-3-11(17)4-6-12/h3-9H,1-2H3,(H,18,19,21)
InChIKeyWIAAAFYWZQRLGP-UHFFFAOYSA-N
XLogP3.26
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide (CID 6503728) is 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)cs2)no1.
What is the InChIKey of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
The InChIKey is WIAAAFYWZQRLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4S2/c1-10-7-15(19-24-10)18-16(21)14-8-13(9-25-14)26(22,23)20(2)12-5-3-11(17)4-6-12/h3-9H,1-2H3,(H,18,19,21).
What are the key properties of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide?
4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 6503728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).