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

C21H26N4O3S4 — CID 70928783

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

N-methyl-N-[2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 70928783) has the molecular formula C21H26N4O3S4 and a molecular weight of 510.73 g/mol. Its IUPAC name is N-methyl-N-[2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-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-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
• PubChem CID: 70928783
• Molecular Formula: C21H26N4O3S4
• Molecular Weight: 510.73 g/mol
• Exact Mass: 510.09
• IUPAC Name: N-methyl-N-[2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide
• SMILES: CN(c1cccc2c1NC(C1=NCC(CN3CCS(=O)CC3)S1)C2)S(=O)(=O)c1cccs1
• InChI: InChI=1S/C21H26N4O3S4/c1-24(32(27,28)19-6-3-9-29-19)18-5-2-4-15-12-17(23-20(15)18)21-22-13-16(30-21)14-25-7-10-31(26)11-8-25/h2-6,9,16-17,23H,7-8,10-14H2,1H3
• InChIKey: DLVRVUNFIITBSH-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 82.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.73
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-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-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide (CID 70928783) is N-methyl-N-[2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-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-[(1-oxo-1,4-thiazinan-4-yl)methyl]-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-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide is CN(c1cccc2c1NC(C1=NCC(CN3CCS(=O)CC3)S1)C2)S(=O)(=O)c1cccs1.

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

The InChIKey is DLVRVUNFIITBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S4/c1-24(32(27,28)19-6-3-9-29-19)18-5-2-4-15-12-17(23-20(15)18)21-22-13-16(30-21)14-25-7-10-31(26)11-8-25/h2-6,9,16-17,23H,7-8,10-14H2,1H3.

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

N-methyl-N-[2-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 510.73 g/mol, XLogP of 2.49, 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-[(1-oxo-1,4-thiazinan-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl]-2,3-dihydro-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 70928783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).