N-(4-ethoxyphenyl)-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C23H24N2O3S2 — CID 2854368

About N-(4-ethoxyphenyl)-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-(4-ethoxyphenyl)-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 2854368) has the molecular formula C23H24N2O3S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-ethoxyphenyl)-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• PubChem CID: 2854368
• Molecular Formula: C23H24N2O3S2
• Molecular Weight: 440.59 g/mol
• Exact Mass: 440.12
• IUPAC Name: N-(4-ethoxyphenyl)-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• SMILES: CCOc1ccc(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CCC(C)C3)cc1
• InChI: InChI=1S/C23H24N2O3S2/c1-3-28-16-9-7-15(8-10-16)24-22(27)20-17-11-6-14(2)13-19(17)30-23(20)25-21(26)18-5-4-12-29-18/h4-5,7-10,12,14H,3,6,11,13H2,1-2H3,(H,24,27)(H,25,26)
• InChIKey: IIMLRLPKNPQVKJ-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.59
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

The IUPAC name of N-(4-ethoxyphenyl)-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 2854368) is N-(4-ethoxyphenyl)-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

What is the SMILES notation for N-(4-ethoxyphenyl)-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

The canonical SMILES for N-(4-ethoxyphenyl)-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CCOc1ccc(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CCC(C)C3)cc1.

What is the InChIKey of N-(4-ethoxyphenyl)-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

The InChIKey is IIMLRLPKNPQVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2/c1-3-28-16-9-7-15(8-10-16)24-22(27)20-17-11-6-14(2)13-19(17)30-23(20)25-21(26)18-5-4-12-29-18/h4-5,7-10,12,14H,3,6,11,13H2,1-2H3,(H,24,27)(H,25,26).

What are the key properties of N-(4-ethoxyphenyl)-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

N-(4-ethoxyphenyl)-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 5.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxyphenyl)-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 2854368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).