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

C22H19N3O2S — CID 46388416

IUPACN-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccc(-c3noc(-c4ccccc4)n3)s2)cc1
InChIInChI=1S/C22H19N3O2S/c1-2-15-8-10-16(11-9-15)14-23-21(26)19-13-12-18(28-19)20-24-22(27-25-20)17-6-4-3-5-7-17/h3-13H,2,14H2,1H3,(H,23,26)
InChIKeySQSGCYYYGWFUCA-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.96
Rot. Bonds6

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

N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide (PubChem CID 46388416) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
PubChem CID46388416
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccc(-c3noc(-c4ccccc4)n3)s2)cc1
InChIInChI=1S/C22H19N3O2S/c1-2-15-8-10-16(11-9-15)14-23-21(26)19-13-12-18(28-19)20-24-22(27-25-20)17-6-4-3-5-7-17/h3-13H,2,14H2,1H3,(H,23,26)
InChIKeySQSGCYYYGWFUCA-UHFFFAOYSA-N
XLogP4.96
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119626
methyl 5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxylate
CID 14871953
5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methylsulfanylphenyl)methyl]thiophene-2-carboxamide
CID 53119527
N-[3-(4-ethylpiperazin-1-yl)propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119639
5-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]thiophene-2-carboxamide
CID 53119651
5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 53119582
N-[3-(azepan-1-yl)propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119636
N-[3-[cyclohexyl(methyl)amino]propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119647
N-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide
CID 53119566
N-(1-benzylpiperidin-4-yl)-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119628
5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide
CID 58968960
N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973291

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide (CID 46388416) is N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide is CCc1ccc(CNC(=O)c2ccc(-c3noc(-c4ccccc4)n3)s2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide?
The InChIKey is SQSGCYYYGWFUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-2-15-8-10-16(11-9-15)14-23-21(26)19-13-12-18(28-19)20-24-22(27-25-20)17-6-4-3-5-7-17/h3-13H,2,14H2,1H3,(H,23,26).
What are the key properties of N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide?
N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 46388416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).