N-[3-methyl-4-[[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]sulfamoyl]phenyl]acetamide

C26H37N5O3S — CID 30578465

About N-[3-methyl-4-[[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]sulfamoyl]phenyl]acetamide

N-[3-methyl-4-[[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]sulfamoyl]phenyl]acetamide (PubChem CID 30578465) has the molecular formula C26H37N5O3S and a molecular weight of 499.68 g/mol. Its IUPAC name is N-[3-methyl-4-[[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-methyl-4-[[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]sulfamoyl]phenyl]acetamide
• PubChem CID: 30578465
• Molecular Formula: C26H37N5O3S
• Molecular Weight: 499.68 g/mol
• Exact Mass: 499.26
• IUPAC Name: N-[3-methyl-4-[[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]sulfamoyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c(C)c1
• InChI: InChI=1S/C26H37N5O3S/c1-19-16-23(28-20(2)32)8-10-26(19)35(33,34)27-18-25(31-14-12-29(3)13-15-31)22-7-9-24-21(17-22)6-5-11-30(24)4/h7-10,16-17,25,27H,5-6,11-15,18H2,1-4H3,(H,28,32)/t25-/m1/s1
• InChIKey: MCPILEXINLUKKY-RUZDIDTESA-N
• XLogP: 2.60
• TPSA: 84.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.68
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]sulfamoyl]phenyl]acetamide?

The IUPAC name of N-[3-methyl-4-[[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]sulfamoyl]phenyl]acetamide (CID 30578465) is N-[3-methyl-4-[[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]sulfamoyl]phenyl]acetamide.

What is the SMILES notation for N-[3-methyl-4-[[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]sulfamoyl]phenyl]acetamide?

The canonical SMILES for N-[3-methyl-4-[[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c(C)c1.

What is the InChIKey of N-[3-methyl-4-[[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]sulfamoyl]phenyl]acetamide?

The InChIKey is MCPILEXINLUKKY-RUZDIDTESA-N. The full InChI is InChI=1S/C26H37N5O3S/c1-19-16-23(28-20(2)32)8-10-26(19)35(33,34)27-18-25(31-14-12-29(3)13-15-31)22-7-9-24-21(17-22)6-5-11-30(24)4/h7-10,16-17,25,27H,5-6,11-15,18H2,1-4H3,(H,28,32)/t25-/m1/s1.

What are the key properties of N-[3-methyl-4-[[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]sulfamoyl]phenyl]acetamide?

N-[3-methyl-4-[[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]sulfamoyl]phenyl]acetamide has a molecular weight of 499.68 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methyl-4-[[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 30578465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).