5-(4-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide

C17H16BrN3O2S — CID 56547309

IUPAC5-(4-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)c2ccc(-c3ccc(Br)cc3)s2)no1
InChIInChI=1S/C17H16BrN3O2S/c1-10-19-16(21-23-10)17(2,3)20-15(22)14-9-8-13(24-14)11-4-6-12(18)7-5-11/h4-9H,1-3H3,(H,20,22)
InChIKeyJGSLEHSNUOSUCP-UHFFFAOYSA-N
MW406.31 g/mol
LogP4.53
Rot. Bonds4

About 5-(4-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide

5-(4-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide (PubChem CID 56547309) has the molecular formula C17H16BrN3O2S and a molecular weight of 406.31 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide
PubChem CID56547309
Molecular FormulaC17H16BrN3O2S
Molecular Weight406.31 g/mol
Exact Mass405.01
IUPAC Name5-(4-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)c2ccc(-c3ccc(Br)cc3)s2)no1
InChIInChI=1S/C17H16BrN3O2S/c1-10-19-16(21-23-10)17(2,3)20-15(22)14-9-8-13(24-14)11-4-6-12(18)7-5-11/h4-9H,1-3H3,(H,20,22)
InChIKeyJGSLEHSNUOSUCP-UHFFFAOYSA-N
XLogP4.53
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide (CID 56547309) is 5-(4-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide is Cc1nc(C(C)(C)NC(=O)c2ccc(-c3ccc(Br)cc3)s2)no1.
What is the InChIKey of 5-(4-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is JGSLEHSNUOSUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2S/c1-10-19-16(21-23-10)17(2,3)20-15(22)14-9-8-13(24-14)11-4-6-12(18)7-5-11/h4-9H,1-3H3,(H,20,22).
What are the key properties of 5-(4-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide?
5-(4-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 406.31 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 56547309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).