N-(2-ethoxyethyl)-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide

C25H32N4O3S3 — CID 70883677

About N-(2-ethoxyethyl)-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide

N-(2-ethoxyethyl)-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 70883677) has the molecular formula C25H32N4O3S3 and a molecular weight of 532.76 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-(2-ethoxyethyl)-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
• PubChem CID: 70883677
• Molecular Formula: C25H32N4O3S3
• Molecular Weight: 532.76 g/mol
• Exact Mass: 532.16
• IUPAC Name: N-(2-ethoxyethyl)-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
• SMILES: CCOCCN(c1cccc2c1NC(c1ncc(CN3CCCCC3)s1)C2)S(=O)(=O)c1cccs1
• InChI: InChI=1S/C25H32N4O3S3/c1-2-32-14-13-29(35(30,31)23-10-7-15-33-23)22-9-6-8-19-16-21(27-24(19)22)25-26-17-20(34-25)18-28-11-4-3-5-12-28/h6-10,15,17,21,27H,2-5,11-14,16,18H2,1H3
• InChIKey: GGHYHDDCRZNWQF-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.76
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?

The IUPAC name of N-(2-ethoxyethyl)-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide (CID 70883677) is N-(2-ethoxyethyl)-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide.

What is the SMILES notation for N-(2-ethoxyethyl)-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?

The canonical SMILES for N-(2-ethoxyethyl)-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide is CCOCCN(c1cccc2c1NC(c1ncc(CN3CCCCC3)s1)C2)S(=O)(=O)c1cccs1.

What is the InChIKey of N-(2-ethoxyethyl)-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?

The InChIKey is GGHYHDDCRZNWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S3/c1-2-32-14-13-29(35(30,31)23-10-7-15-33-23)22-9-6-8-19-16-21(27-24(19)22)25-26-17-20(34-25)18-28-11-4-3-5-12-28/h6-10,15,17,21,27H,2-5,11-14,16,18H2,1H3.

What are the key properties of N-(2-ethoxyethyl)-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?

N-(2-ethoxyethyl)-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 532.76 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethoxyethyl)-N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 70883677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).