N-methyl-N-[2-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide

C23H29N5O3S3 — CID 70883687

About N-methyl-N-[2-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide

N-methyl-N-[2-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 70883687) has the molecular formula C23H29N5O3S3 and a molecular weight of 519.72 g/mol. Its IUPAC name is N-methyl-N-[2-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-methyl-N-[2-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
• PubChem CID: 70883687
• Molecular Formula: C23H29N5O3S3
• Molecular Weight: 519.72 g/mol
• Exact Mass: 519.14
• IUPAC Name: N-methyl-N-[2-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
• SMILES: CN1CCN(C(=O)CC2CN=C(C3Cc4cccc(N(C)S(=O)(=O)c5cccs5)c4N3)S2)CC1
• InChI: InChI=1S/C23H29N5O3S3/c1-26-8-10-28(11-9-26)20(29)14-17-15-24-23(33-17)18-13-16-5-3-6-19(22(16)25-18)27(2)34(30,31)21-7-4-12-32-21/h3-7,12,17-18,25H,8-11,13-15H2,1-2H3
• InChIKey: ATZVIVYHMVRQFJ-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 85.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.72
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?

The IUPAC name of N-methyl-N-[2-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide (CID 70883687) is N-methyl-N-[2-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide.

What is the SMILES notation for N-methyl-N-[2-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?

The canonical SMILES for N-methyl-N-[2-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide is CN1CCN(C(=O)CC2CN=C(C3Cc4cccc(N(C)S(=O)(=O)c5cccs5)c4N3)S2)CC1.

What is the InChIKey of N-methyl-N-[2-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?

The InChIKey is ATZVIVYHMVRQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3S3/c1-26-8-10-28(11-9-26)20(29)14-17-15-24-23(33-17)18-13-16-5-3-6-19(22(16)25-18)27(2)34(30,31)21-7-4-12-32-21/h3-7,12,17-18,25H,8-11,13-15H2,1-2H3.

What are the key properties of N-methyl-N-[2-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide?

N-methyl-N-[2-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 519.72 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[2-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 70883687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).