N-cyclohexyl-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C24H27N3O2S — CID 137065303

About N-cyclohexyl-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-cyclohexyl-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 137065303) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-cyclohexyl-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• PubChem CID: 137065303
• Molecular Formula: C24H27N3O2S
• Molecular Weight: 421.57 g/mol
• Exact Mass: 421.18
• IUPAC Name: N-cyclohexyl-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• SMILES: Cc1ccc2c(c1)C(=Nc1sc3c(c1C(=O)NC1CCCCC1)CCCC3)C(=O)N2
• InChI: InChI=1S/C24H27N3O2S/c1-14-11-12-18-17(13-14)21(23(29)26-18)27-24-20(16-9-5-6-10-19(16)30-24)22(28)25-15-7-3-2-4-8-15/h11-13,15H,2-10H2,1H3,(H,25,28)(H,26,27,29)
• InChIKey: ZYRUBQBOGDZFKB-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 70.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.57
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

The IUPAC name of N-cyclohexyl-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 137065303) is N-cyclohexyl-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

What is the SMILES notation for N-cyclohexyl-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

The canonical SMILES for N-cyclohexyl-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is Cc1ccc2c(c1)C(=Nc1sc3c(c1C(=O)NC1CCCCC1)CCCC3)C(=O)N2.

What is the InChIKey of N-cyclohexyl-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

The InChIKey is ZYRUBQBOGDZFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-14-11-12-18-17(13-14)21(23(29)26-18)27-24-20(16-9-5-6-10-19(16)30-24)22(28)25-15-7-3-2-4-8-15/h11-13,15H,2-10H2,1H3,(H,25,28)(H,26,27,29).

What are the key properties of N-cyclohexyl-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

N-cyclohexyl-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 421.57 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 137065303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).