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

C22H22N4O2S — CID 53155388

IUPACN-(2,4-dimethylphenyl)-2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c(C)cc(-c3nnc(-c4cccs4)o3)c2C)c(C)c1
InChIInChI=1S/C22H22N4O2S/c1-13-7-8-18(14(2)10-13)23-20(27)12-26-15(3)11-17(16(26)4)21-24-25-22(28-21)19-6-5-9-29-19/h5-11H,12H2,1-4H3,(H,23,27)
InChIKeyRDNZZVIQDIGSDU-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.14
Rot. Bonds5

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

N-(2,4-dimethylphenyl)-2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (PubChem CID 53155388) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
PubChem CID53155388
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC NameN-(2,4-dimethylphenyl)-2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c(C)cc(-c3nnc(-c4cccs4)o3)c2C)c(C)c1
InChIInChI=1S/C22H22N4O2S/c1-13-7-8-18(14(2)10-13)23-20(27)12-26-15(3)11-17(16(26)4)21-24-25-22(28-21)19-6-5-9-29-19/h5-11H,12H2,1-4H3,(H,23,27)
InChIKeyRDNZZVIQDIGSDU-UHFFFAOYSA-N
XLogP5.14
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 53155219
N-(2,4-dimethylphenyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 36704967
N-[(2,4-dimethylphenyl)carbamoyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772151
2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide
CID 53155222
N-(2-bromo-4-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47771985
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8541753
N-(2,4-dimethylphenyl)-2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19725854
N-(2,4-dimethylphenyl)-2-[6-oxo-5-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide
CID 53168636
N-(2,4-dimethylphenyl)-2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
CID 9399915

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The IUPAC name of 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) is N-(2,4-dimethylphenyl)-2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is Cc1ccc(NC(=O)Cn2c(C)cc(-c3nnc(-c4cccs4)o3)c2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The InChIKey is RDNZZVIQDIGSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-13-7-8-18(14(2)10-13)23-20(27)12-26-15(3)11-17(16(26)4)21-24-25-22(28-21)19-6-5-9-29-19/h5-11H,12H2,1-4H3,(H,23,27).
What are the key properties of N-(2,4-dimethylphenyl)-2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide has a molecular weight of 406.51 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[2,5-dimethyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 53155388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).