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

C24H30N4O5S4 — CID 59135880

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

N-(2-ethoxyethyl)-N-[2-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 59135880) has the molecular formula C24H30N4O5S4 and a molecular weight of 582.80 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-[2-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-(2-ethoxyethyl)-N-[2-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
• PubChem CID: 59135880
• Molecular Formula: C24H30N4O5S4
• Molecular Weight: 582.80 g/mol
• Exact Mass: 582.11
• IUPAC Name: N-(2-ethoxyethyl)-N-[2-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
• SMILES: CCOCCN(c1cccc2cc(-c3ncc(CN(C)CCS(C)(=O)=O)s3)[nH]c12)S(=O)(=O)c1cccs1
• InChI: InChI=1S/C24H30N4O5S4/c1-4-33-12-10-28(37(31,32)22-9-6-13-34-22)21-8-5-7-18-15-20(26-23(18)21)24-25-16-19(35-24)17-27(2)11-14-36(3,29)30/h5-9,13,15-16,26H,4,10-12,14,17H2,1-3H3
• InChIKey: CWLSRWNARMRQAP-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 112.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.80
LogP ≤ 5	4.06
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-[[methyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?

The IUPAC name of N-(2-ethoxyethyl)-N-[2-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (CID 59135880) is N-(2-ethoxyethyl)-N-[2-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.

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

The canonical SMILES for N-(2-ethoxyethyl)-N-[2-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is CCOCCN(c1cccc2cc(-c3ncc(CN(C)CCS(C)(=O)=O)s3)[nH]c12)S(=O)(=O)c1cccs1.

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

The InChIKey is CWLSRWNARMRQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S4/c1-4-33-12-10-28(37(31,32)22-9-6-13-34-22)21-8-5-7-18-15-20(26-23(18)21)24-25-16-19(35-24)17-27(2)11-14-36(3,29)30/h5-9,13,15-16,26H,4,10-12,14,17H2,1-3H3.

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

N-(2-ethoxyethyl)-N-[2-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 582.80 g/mol, XLogP of 4.06, 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-[[methyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 59135880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).