4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide

C18H23NOS — CID 26218789

IUPAC4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2c(C)cccc2C(C)C)sc1C
InChIInChI=1S/C18H23NOS/c1-6-14-10-16(21-13(14)5)18(20)19-17-12(4)8-7-9-15(17)11(2)3/h7-11H,6H2,1-5H3,(H,19,20)
InChIKeyYCVNEBHOFYBBAC-UHFFFAOYSA-N
MW301.46 g/mol
LogP5.30
Rot. Bonds4

About 4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide

4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide (PubChem CID 26218789) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide
PubChem CID26218789
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2c(C)cccc2C(C)C)sc1C
InChIInChI=1S/C18H23NOS/c1-6-14-10-16(21-13(14)5)18(20)19-17-12(4)8-7-9-15(17)11(2)3/h7-11H,6H2,1-5H3,(H,19,20)
InChIKeyYCVNEBHOFYBBAC-UHFFFAOYSA-N
XLogP5.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.46
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 18082264
4-ethyl-5-methyl-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 26085892
N-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107020649
N-(2,5-dimethylphenyl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 26909368
N-(2-methyl-6-propan-2-ylphenyl)-5-nitrothiophene-2-carboxamide
CID 26218909
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
5-ethyl-N-(2-ethyl-6-methylphenyl)-4-methylthiophene-2-carboxamide
CID 4820644
4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 43333467
4-ethyl-N-(3-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 9412427
4-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2701404
N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 110600651
4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide
CID 26086809

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide (CID 26218789) is 4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide is CCc1cc(C(=O)Nc2c(C)cccc2C(C)C)sc1C.
What is the InChIKey of 4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide?
The InChIKey is YCVNEBHOFYBBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-6-14-10-16(21-13(14)5)18(20)19-17-12(4)8-7-9-15(17)11(2)3/h7-11H,6H2,1-5H3,(H,19,20).
What are the key properties of 4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide?
4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide has a molecular weight of 301.46 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 26218789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).