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

C26H32N4O3S3 — CID 67490133

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

N-(2-ethoxyethyl)-N-[2-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 67490133) has the molecular formula C26H32N4O3S3 and a molecular weight of 544.77 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-[2-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-(2-ethoxyethyl)-N-[2-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
• PubChem CID: 67490133
• Molecular Formula: C26H32N4O3S3
• Molecular Weight: 544.77 g/mol
• Exact Mass: 544.16
• IUPAC Name: N-(2-ethoxyethyl)-N-[2-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
• SMILES: CCOCCN(c1cccc2cc(-c3ncc(CN4CCCCC4C)s3)[nH]c12)S(=O)(=O)c1cccs1
• InChI: InChI=1S/C26H32N4O3S3/c1-3-33-14-13-30(36(31,32)24-11-7-15-34-24)23-10-6-9-20-16-22(28-25(20)23)26-27-17-21(35-26)18-29-12-5-4-8-19(29)2/h6-7,9-11,15-17,19,28H,3-5,8,12-14,18H2,1-2H3
• InChIKey: GQMCGIDYSSYXTR-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 78.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.77
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?

The IUPAC name of N-(2-ethoxyethyl)-N-[2-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (CID 67490133) is N-(2-ethoxyethyl)-N-[2-[5-[(2-methylpiperidin-1-yl)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-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?

The canonical SMILES for N-(2-ethoxyethyl)-N-[2-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is CCOCCN(c1cccc2cc(-c3ncc(CN4CCCCC4C)s3)[nH]c12)S(=O)(=O)c1cccs1.

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

The InChIKey is GQMCGIDYSSYXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S3/c1-3-33-14-13-30(36(31,32)24-11-7-15-34-24)23-10-6-9-20-16-22(28-25(20)23)26-27-17-21(35-26)18-29-12-5-4-8-19(29)2/h6-7,9-11,15-17,19,28H,3-5,8,12-14,18H2,1-2H3.

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

N-(2-ethoxyethyl)-N-[2-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 544.77 g/mol, XLogP of 5.96, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethoxyethyl)-N-[2-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 67490133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).