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

C22H28N4O2S4 — CID 70883635

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

N-methyl-N-[2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 70883635) has the molecular formula C22H28N4O2S4 and a molecular weight of 508.76 g/mol. Its IUPAC name is N-methyl-N-[2-[5-(2-thiomorpholin-4-ylethyl)-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-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
• PubChem CID: 70883635
• Molecular Formula: C22H28N4O2S4
• Molecular Weight: 508.76 g/mol
• Exact Mass: 508.11
• IUPAC Name: N-methyl-N-[2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
• SMILES: CN(c1cccc2c1NC(C1=NCC(CCN3CCSCC3)S1)C2)S(=O)(=O)c1cccs1
• InChI: InChI=1S/C22H28N4O2S4/c1-25(32(27,28)20-6-3-11-30-20)19-5-2-4-16-14-18(24-21(16)19)22-23-15-17(31-22)7-8-26-9-12-29-13-10-26/h2-6,11,17-18,24H,7-10,12-15H2,1H3
• InChIKey: BVKDVJIOBVHVPT-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 65.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.76
LogP ≤ 5	3.86
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-thiomorpholin-4-ylethyl)-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-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide (CID 70883635) is N-methyl-N-[2-[5-(2-thiomorpholin-4-ylethyl)-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-thiomorpholin-4-ylethyl)-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-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide is CN(c1cccc2c1NC(C1=NCC(CCN3CCSCC3)S1)C2)S(=O)(=O)c1cccs1.

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

The InChIKey is BVKDVJIOBVHVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S4/c1-25(32(27,28)20-6-3-11-30-20)19-5-2-4-16-14-18(24-21(16)19)22-23-15-17(31-22)7-8-26-9-12-29-13-10-26/h2-6,11,17-18,24H,7-10,12-15H2,1H3.

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

N-methyl-N-[2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 508.76 g/mol, XLogP of 3.86, 7 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-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 70883635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).