5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid

C27H27Cl2F3N4O6S — CID 67329793

About 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid

5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 67329793) has the molecular formula C27H27Cl2F3N4O6S and a molecular weight of 663.50 g/mol. Its IUPAC name is 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 67329793
• Molecular Formula: C27H27Cl2F3N4O6S
• Molecular Weight: 663.50 g/mol
• Exact Mass: 662.10
• IUPAC Name: 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CCN(Cc1cc(C(=O)NCCc2ccc(C3=NCCN3)cc2)co1)S(=O)(=O)c1c(Cl)cccc1Cl.O=C(O)C(F)(F)F
• InChI: InChI=1S/C25H26Cl2N4O4S.C2HF3O2/c1-2-31(36(33,34)23-21(26)4-3-5-22(23)27)15-20-14-19(16-35-20)25(32)30-11-10-17-6-8-18(9-7-17)24-28-12-13-29-24;3-2(4,5)1(6)7/h3-9,14,16H,2,10-13,15H2,1H3,(H,28,29)(H,30,32);(H,6,7)
• InChIKey: VDDHUBRHHACNJN-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 141.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	663.50
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid (CID 67329793) is 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid is CCN(Cc1cc(C(=O)NCCc2ccc(C3=NCCN3)cc2)co1)S(=O)(=O)c1c(Cl)cccc1Cl.O=C(O)C(F)(F)F.

What is the InChIKey of 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is VDDHUBRHHACNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N4O4S.C2HF3O2/c1-2-31(36(33,34)23-21(26)4-3-5-22(23)27)15-20-14-19(16-35-20)25(32)30-11-10-17-6-8-18(9-7-17)24-28-12-13-29-24;3-2(4,5)1(6)7/h3-9,14,16H,2,10-13,15H2,1H3,(H,28,29)(H,30,32);(H,6,7).

What are the key properties of 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?

5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 663.50 g/mol, XLogP of 4.75, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(2,6-dichlorophenyl)sulfonyl-ethylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67329793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).