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

C24H32N4O4S3 — CID 59303545

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

N-(2-ethoxyethyl)-N-[2-[5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 59303545) has the molecular formula C24H32N4O4S3 and a molecular weight of 536.75 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-[2-[5-[[2-methoxyethyl(methyl)amino]methyl]-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-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
• PubChem CID: 59303545
• Molecular Formula: C24H32N4O4S3
• Molecular Weight: 536.75 g/mol
• Exact Mass: 536.16
• IUPAC Name: N-(2-ethoxyethyl)-N-[2-[5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
• SMILES: CCOCCN(c1cccc2c1NC(c1ncc(CN(C)CCOC)s1)C2)S(=O)(=O)c1cccs1
• InChI: InChI=1S/C24H32N4O4S3/c1-4-32-13-11-28(35(29,30)22-9-6-14-33-22)21-8-5-7-18-15-20(26-23(18)21)24-25-16-19(34-24)17-27(2)10-12-31-3/h5-9,14,16,20,26H,4,10-13,15,17H2,1-3H3
• InChIKey: XSKFWHZLUUNKEV-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 84.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.75
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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-[[2-methoxyethyl(methyl)amino]methyl]-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-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide (CID 59303545) is N-(2-ethoxyethyl)-N-[2-[5-[[2-methoxyethyl(methyl)amino]methyl]-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-[[2-methoxyethyl(methyl)amino]methyl]-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-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide is CCOCCN(c1cccc2c1NC(c1ncc(CN(C)CCOC)s1)C2)S(=O)(=O)c1cccs1.

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

The InChIKey is XSKFWHZLUUNKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S3/c1-4-32-13-11-28(35(29,30)22-9-6-14-33-22)21-8-5-7-18-15-20(26-23(18)21)24-25-16-19(34-24)17-27(2)10-12-31-3/h5-9,14,16,20,26H,4,10-13,15,17H2,1-3H3.

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

N-(2-ethoxyethyl)-N-[2-[5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 536.75 g/mol, XLogP of 4.22, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethoxyethyl)-N-[2-[5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 59303545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).