2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide

C22H26Cl2N4O4S — CID 57342494

About 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide

2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide (PubChem CID 57342494) has the molecular formula C22H26Cl2N4O4S and a molecular weight of 513.45 g/mol. Its IUPAC name is 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
• PubChem CID: 57342494
• Molecular Formula: C22H26Cl2N4O4S
• Molecular Weight: 513.45 g/mol
• Exact Mass: 512.11
• IUPAC Name: 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide
• SMILES: CN(Cc1ccc(C2=NCCN2)cc1)C(=O)COCCN(C)S(=O)(=O)c1cccc(Cl)c1Cl
• InChI: InChI=1S/C22H26Cl2N4O4S/c1-27(14-16-6-8-17(9-7-16)22-25-10-11-26-22)20(29)15-32-13-12-28(2)33(30,31)19-5-3-4-18(23)21(19)24/h3-9H,10-15H2,1-2H3,(H,25,26)
• InChIKey: ZXODOJVNTVMCAY-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 91.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.45
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide?

The IUPAC name of 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide (CID 57342494) is 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide.

What is the SMILES notation for 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide?

The canonical SMILES for 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide is CN(Cc1ccc(C2=NCCN2)cc1)C(=O)COCCN(C)S(=O)(=O)c1cccc(Cl)c1Cl.

What is the InChIKey of 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide?

The InChIKey is ZXODOJVNTVMCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4O4S/c1-27(14-16-6-8-17(9-7-16)22-25-10-11-26-22)20(29)15-32-13-12-28(2)33(30,31)19-5-3-4-18(23)21(19)24/h3-9H,10-15H2,1-2H3,(H,25,26).

What are the key properties of 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide?

2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide has a molecular weight of 513.45 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 57342494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).