N-[5-(2-methoxyethoxy)-2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide

C25H31N5O5S3 — CID 24899772

About N-[5-(2-methoxyethoxy)-2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide

N-[5-(2-methoxyethoxy)-2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide (PubChem CID 24899772) has the molecular formula C25H31N5O5S3 and a molecular weight of 577.75 g/mol. Its IUPAC name is N-[5-(2-methoxyethoxy)-2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide.

Molecular Properties

• Compound Name: N-[5-(2-methoxyethoxy)-2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
• PubChem CID: 24899772
• Molecular Formula: C25H31N5O5S3
• Molecular Weight: 577.75 g/mol
• Exact Mass: 577.15
• IUPAC Name: N-[5-(2-methoxyethoxy)-2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide
• SMILES: COCCOc1cc(N(C)S(=O)(=O)c2ccccn2)c2[nH]c(C3=NCC(CN4CCS(=O)CC4)S3)cc2c1
• InChI: InChI=1S/C25H31N5O5S3/c1-29(38(32,33)23-5-3-4-6-26-23)22-15-19(35-10-9-34-2)13-18-14-21(28-24(18)22)25-27-16-20(36-25)17-30-7-11-37(31)12-8-30/h3-6,13-15,20,28H,7-12,16-17H2,1-2H3
• InChIKey: UCJHCJDMGAXMLM-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 117.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.75
LogP ≤ 5	2.34
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-[5-(2-methoxyethoxy)-2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?

The IUPAC name of N-[5-(2-methoxyethoxy)-2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide (CID 24899772) is N-[5-(2-methoxyethoxy)-2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide.

What is the SMILES notation for N-[5-(2-methoxyethoxy)-2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?

The canonical SMILES for N-[5-(2-methoxyethoxy)-2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide is COCCOc1cc(N(C)S(=O)(=O)c2ccccn2)c2[nH]c(C3=NCC(CN4CCS(=O)CC4)S3)cc2c1.

What is the InChIKey of N-[5-(2-methoxyethoxy)-2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?

The InChIKey is UCJHCJDMGAXMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O5S3/c1-29(38(32,33)23-5-3-4-6-26-23)22-15-19(35-10-9-34-2)13-18-14-21(28-24(18)22)25-27-16-20(36-25)17-30-7-11-37(31)12-8-30/h3-6,13-15,20,28H,7-12,16-17H2,1-2H3.

What are the key properties of N-[5-(2-methoxyethoxy)-2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide?

N-[5-(2-methoxyethoxy)-2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide has a molecular weight of 577.75 g/mol, XLogP of 2.34, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-methoxyethoxy)-2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide is sourced from PubChem (CID 24899772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).