2-(4-methylphenyl)-4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid

C24H19NO4S — CID 58191222

IUPAC2-(4-methylphenyl)-4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1ccc(-c2scc(NC(=O)c3cc(-c4ccccc4)oc3C)c2C(=O)O)cc1
InChIInChI=1S/C24H19NO4S/c1-14-8-10-17(11-9-14)22-21(24(27)28)19(13-30-22)25-23(26)18-12-20(29-15(18)2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,25,26)(H,27,28)
InChIKeyWJQGBXGGYUEMJK-UHFFFAOYSA-N
MW417.49 g/mol
LogP6.24
Rot. Bonds5

About 2-(4-methylphenyl)-4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid

2-(4-methylphenyl)-4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 58191222) has the molecular formula C24H19NO4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID58191222
Molecular FormulaC24H19NO4S
Molecular Weight417.49 g/mol
Exact Mass417.10
IUPAC Name2-(4-methylphenyl)-4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1ccc(-c2scc(NC(=O)c3cc(-c4ccccc4)oc3C)c2C(=O)O)cc1
InChIInChI=1S/C24H19NO4S/c1-14-8-10-17(11-9-14)22-21(24(27)28)19(13-30-22)25-23(26)18-12-20(29-15(18)2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,25,26)(H,27,28)
InChIKeyWJQGBXGGYUEMJK-UHFFFAOYSA-N
XLogP6.24
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chloro-5-methylthiophene-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid
CID 58191269
N-(2-chlorophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 2742876
2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide
CID 16650715
ethyl 2-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 16650765
2-(4-methylphenyl)-4-(quinoline-2-carbonylamino)thiophene-3-carboxylic acid
CID 58191384
2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 58191544
N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 1340506
2-(4-methylphenyl)-4-[(2,3,5-trifluoro-4-methoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 87250578
2-(4-methylphenyl)-4-[(2,3,5-tribromo-4-methoxybenzoyl)amino]thiophene-3-carboxylic acid
CID 87250570
2-methyl-5-phenyl-N-[2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 16650690
N-(2-ethoxyphenyl)-2-methyl-5-(4-methylphenyl)furan-3-carboxamide
CID 16650745
2-methyl-5-(4-methylphenyl)furan-3-carboxylic acid
CID 2794742

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-(4-methylphenyl)-4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid (CID 58191222) is 2-(4-methylphenyl)-4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(4-methylphenyl)-4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-(4-methylphenyl)-4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid is Cc1ccc(-c2scc(NC(=O)c3cc(-c4ccccc4)oc3C)c2C(=O)O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is WJQGBXGGYUEMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4S/c1-14-8-10-17(11-9-14)22-21(24(27)28)19(13-30-22)25-23(26)18-12-20(29-15(18)2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2-(4-methylphenyl)-4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid?
2-(4-methylphenyl)-4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 417.49 g/mol, XLogP of 6.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 58191222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).