2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide

C22H22N4O2S — CID 53155412

IUPAC2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cn2c(C)cc(-c3nnc(-c4cccs4)o3)c2C)c1
InChIInChI=1S/C22H22N4O2S/c1-14-6-4-7-17(10-14)12-23-20(27)13-26-15(2)11-18(16(26)3)21-24-25-22(28-21)19-8-5-9-29-19/h4-11H,12-13H2,1-3H3,(H,23,27)
InChIKeyZHKVUQUIBIHSLA-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.51
Rot. Bonds6

About 2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide

2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 53155412) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID53155412
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cn2c(C)cc(-c3nnc(-c4cccs4)o3)c2C)c1
InChIInChI=1S/C22H22N4O2S/c1-14-6-4-7-17(10-14)12-23-20(27)13-26-15(2)11-18(16(26)3)21-24-25-22(28-21)19-8-5-9-29-19/h4-11H,12-13H2,1-3H3,(H,23,27)
InChIKeyZHKVUQUIBIHSLA-UHFFFAOYSA-N
XLogP4.51
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
CID 53155388
2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 53155394
2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
CID 53155385
N-[(3-bromophenyl)methyl]-2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]acetamide
CID 53155318
N-[(4-chlorophenyl)methyl]-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide
CID 53155482
2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 53155359
N-[(4-methylphenyl)methyl]-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161973
2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 53114498
N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738810
2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 53155219
N-[[3-(methoxymethyl)phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46470860
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 30778648

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide (CID 53155412) is 2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)Cn2c(C)cc(-c3nnc(-c4cccs4)o3)c2C)c1.
What is the InChIKey of 2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is ZHKVUQUIBIHSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-14-6-4-7-17(10-14)12-23-20(27)13-26-15(2)11-18(16(26)3)21-24-25-22(28-21)19-8-5-9-29-19/h4-11H,12-13H2,1-3H3,(H,23,27).
What are the key properties of 2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide?
2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 406.51 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 53155412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).