3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide

C19H14ClN3O2S — CID 16821831

IUPAC3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)c3sc4ccccc4c3Cl)o2)c1
InChIInChI=1S/C19H14ClN3O2S/c1-10-7-8-11(2)13(9-10)18-22-23-19(25-18)21-17(24)16-15(20)12-5-3-4-6-14(12)26-16/h3-9H,1-2H3,(H,21,23,24)
InChIKeyQPHYCNCXVUQDTJ-UHFFFAOYSA-N
MW383.86 g/mol
LogP5.47
Rot. Bonds3

About 3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide

3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 16821831) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is 3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID16821831
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC Name3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)c3sc4ccccc4c3Cl)o2)c1
InChIInChI=1S/C19H14ClN3O2S/c1-10-7-8-11(2)13(9-10)18-22-23-19(25-18)21-17(24)16-15(20)12-5-3-4-6-14(12)26-16/h3-9H,1-2H3,(H,21,23,24)
InChIKeyQPHYCNCXVUQDTJ-UHFFFAOYSA-N
XLogP5.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.86
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 16821785
3-chloro-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 56763933
2-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7244080
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 43972655
4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 8608540
3-chloro-6-methyl-N-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 45018417
3-chloro-N-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide
CID 4203723
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide
CID 16917365
3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide
CID 1117397
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide
CID 45284717
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
CID 7533241

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide (CID 16821831) is 3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide is Cc1ccc(C)c(-c2nnc(NC(=O)c3sc4ccccc4c3Cl)o2)c1.
What is the InChIKey of 3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is QPHYCNCXVUQDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c1-10-7-8-11(2)13(9-10)18-22-23-19(25-18)21-17(24)16-15(20)12-5-3-4-6-14(12)26-16/h3-9H,1-2H3,(H,21,23,24).
What are the key properties of 3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 383.86 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 16821831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).