3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide

C21H20N2O2S — CID 20735470

IUPAC3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)Cc2ccsc2C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H20N2O2S/c1-14-3-7-17(8-4-14)22-19(24)13-16-11-12-26-20(16)21(25)23-18-9-5-15(2)6-10-18/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHIPYZJQMGQKAGW-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.80
Rot. Bonds5

About 3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide

3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 20735470) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID20735470
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)Cc2ccsc2C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H20N2O2S/c1-14-3-7-17(8-4-14)22-19(24)13-16-11-12-26-20(16)21(25)23-18-9-5-15(2)6-10-18/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHIPYZJQMGQKAGW-UHFFFAOYSA-N
XLogP4.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(diethylamino)phenyl]-3-ethylthiophene-2-carboxamide
CID 60564330
N-[4-(bromomethyl)phenyl]-3-ethylthiophene-2-carboxamide
CID 114310919
N-(4-carbamothioylphenyl)-3-ethylthiophene-2-carboxamide
CID 79976248
2-(2,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 7596977
N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide
CID 79985935
3-[2-(4-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338047
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
N-[4-(dimethylamino)-3-methylphenyl]-3-ethylthiophene-2-carboxamide
CID 60566814
N-(4-iodophenyl)-3-methylthiophene-2-carboxamide
CID 7927248
N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
4-methyl-2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
CID 82154723
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide (CID 20735470) is 3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(NC(=O)Cc2ccsc2C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is HIPYZJQMGQKAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-14-3-7-17(8-4-14)22-19(24)13-16-11-12-26-20(16)21(25)23-18-9-5-15(2)6-10-18/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide?
3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 20735470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).