4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzothiophene-2-carboxamide

C18H18FN3O2S — CID 31163908

IUPAC4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzothiophene-2-carboxamide
SMILESCc1nc(C2(NC(=O)c3cc4c(F)cccc4s3)CCCCC2)no1
InChIInChI=1S/C18H18FN3O2S/c1-11-20-17(22-24-11)18(8-3-2-4-9-18)21-16(23)15-10-12-13(19)6-5-7-14(12)25-15/h5-7,10H,2-4,8-9H2,1H3,(H,21,23)
InChIKeyLTCQUXXZRRIRTC-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.32
Rot. Bonds3

About 4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzothiophene-2-carboxamide

4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzothiophene-2-carboxamide (PubChem CID 31163908) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzothiophene-2-carboxamide
PubChem CID31163908
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzothiophene-2-carboxamide
SMILESCc1nc(C2(NC(=O)c3cc4c(F)cccc4s3)CCCCC2)no1
InChIInChI=1S/C18H18FN3O2S/c1-11-20-17(22-24-11)18(8-3-2-4-9-18)21-16(23)15-10-12-13(19)6-5-7-14(12)25-15/h5-7,10H,2-4,8-9H2,1H3,(H,21,23)
InChIKeyLTCQUXXZRRIRTC-UHFFFAOYSA-N
XLogP4.32
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzothiophene-2-carboxamide (CID 31163908) is 4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzothiophene-2-carboxamide is Cc1nc(C2(NC(=O)c3cc4c(F)cccc4s3)CCCCC2)no1.
What is the InChIKey of 4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzothiophene-2-carboxamide?
The InChIKey is LTCQUXXZRRIRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-11-20-17(22-24-11)18(8-3-2-4-9-18)21-16(23)15-10-12-13(19)6-5-7-14(12)25-15/h5-7,10H,2-4,8-9H2,1H3,(H,21,23).
What are the key properties of 4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzothiophene-2-carboxamide?
4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzothiophene-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 31163908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).