4-(2-anilino-2-oxoethyl)-5-(4-methylphenyl)-N-phenylthiophene-2-carboxamide

C26H22N2O2S — CID 1309746

IUPAC4-(2-anilino-2-oxoethyl)-5-(4-methylphenyl)-N-phenylthiophene-2-carboxamide
SMILESCc1ccc(-c2sc(C(=O)Nc3ccccc3)cc2CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C26H22N2O2S/c1-18-12-14-19(15-13-18)25-20(17-24(29)27-21-8-4-2-5-9-21)16-23(31-25)26(30)28-22-10-6-3-7-11-22/h2-16H,17H2,1H3,(H,27,29)(H,28,30)
InChIKeyDALIVMUEGOULGL-UHFFFAOYSA-N
MW426.54 g/mol
LogP6.16
Rot. Bonds6

About 4-(2-anilino-2-oxoethyl)-5-(4-methylphenyl)-N-phenylthiophene-2-carboxamide

4-(2-anilino-2-oxoethyl)-5-(4-methylphenyl)-N-phenylthiophene-2-carboxamide (PubChem CID 1309746) has the molecular formula C26H22N2O2S and a molecular weight of 426.54 g/mol. Its IUPAC name is 4-(2-anilino-2-oxoethyl)-5-(4-methylphenyl)-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(2-anilino-2-oxoethyl)-5-(4-methylphenyl)-N-phenylthiophene-2-carboxamide
PubChem CID1309746
Molecular FormulaC26H22N2O2S
Molecular Weight426.54 g/mol
Exact Mass426.14
IUPAC Name4-(2-anilino-2-oxoethyl)-5-(4-methylphenyl)-N-phenylthiophene-2-carboxamide
SMILESCc1ccc(-c2sc(C(=O)Nc3ccccc3)cc2CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C26H22N2O2S/c1-18-12-14-19(15-13-18)25-20(17-24(29)27-21-8-4-2-5-9-21)16-23(31-25)26(30)28-22-10-6-3-7-11-22/h2-16H,17H2,1H3,(H,27,29)(H,28,30)
InChIKeyDALIVMUEGOULGL-UHFFFAOYSA-N
XLogP6.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid
CID 59654667
5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
CID 7899856
5-ethyl-4-methyl-N-(4-methylphenyl)thiophene-2-carboxamide
CID 7733711
2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid
CID 12558883
methyl 4-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]benzoate
CID 121238680
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
N-phenyl-2-(2,4,6-trimethylphenyl)acetamide
CID 42390776
N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide
CID 7947323
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
3-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-carboxamide
CID 20735470
N,5-diphenylthiophene-2-carboxamide
CID 3746437
2-(2,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 7596977

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-2-oxoethyl)-5-(4-methylphenyl)-N-phenylthiophene-2-carboxamide?
The IUPAC name of 4-(2-anilino-2-oxoethyl)-5-(4-methylphenyl)-N-phenylthiophene-2-carboxamide (CID 1309746) is 4-(2-anilino-2-oxoethyl)-5-(4-methylphenyl)-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for 4-(2-anilino-2-oxoethyl)-5-(4-methylphenyl)-N-phenylthiophene-2-carboxamide?
The canonical SMILES for 4-(2-anilino-2-oxoethyl)-5-(4-methylphenyl)-N-phenylthiophene-2-carboxamide is Cc1ccc(-c2sc(C(=O)Nc3ccccc3)cc2CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(2-anilino-2-oxoethyl)-5-(4-methylphenyl)-N-phenylthiophene-2-carboxamide?
The InChIKey is DALIVMUEGOULGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2S/c1-18-12-14-19(15-13-18)25-20(17-24(29)27-21-8-4-2-5-9-21)16-23(31-25)26(30)28-22-10-6-3-7-11-22/h2-16H,17H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 4-(2-anilino-2-oxoethyl)-5-(4-methylphenyl)-N-phenylthiophene-2-carboxamide?
4-(2-anilino-2-oxoethyl)-5-(4-methylphenyl)-N-phenylthiophene-2-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 6.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-2-oxoethyl)-5-(4-methylphenyl)-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 1309746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).