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

C30H35F3N4O7S — CID 66648178

IUPACN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[ethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN(Cc1cc(C(=O)NCCc2ccc(C3=NCCN3)cc2)co1)S(=O)(=O)c1c(C)cc(OC)cc1C.O=C(O)C(F)(F)F
InChIInChI=1S/C28H34N4O5S.C2HF3O2/c1-5-32(38(34,35)26-19(2)14-24(36-4)15-20(26)3)17-25-16-23(18-37-25)28(33)31-11-10-21-6-8-22(9-7-21)27-29-12-13-30-27;3-2(4,5)1(6)7/h6-9,14-16,18H,5,10-13,17H2,1-4H3,(H,29,30)(H,31,33);(H,6,7)
InChIKeyRNKZYTCYILFVKW-UHFFFAOYSA-N
MW652.69 g/mol
LogP4.07
Rot. Bonds11

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

N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[ethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 66648178) has the molecular formula C30H35F3N4O7S and a molecular weight of 652.69 g/mol. Its IUPAC name is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[ethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[ethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID66648178
Molecular FormulaC30H35F3N4O7S
Molecular Weight652.69 g/mol
Exact Mass652.22
IUPAC NameN-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[ethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN(Cc1cc(C(=O)NCCc2ccc(C3=NCCN3)cc2)co1)S(=O)(=O)c1c(C)cc(OC)cc1C.O=C(O)C(F)(F)F
InChIInChI=1S/C28H34N4O5S.C2HF3O2/c1-5-32(38(34,35)26-19(2)14-24(36-4)15-20(26)3)17-25-16-23(18-37-25)28(33)31-11-10-21-6-8-22(9-7-21)27-29-12-13-30-27;3-2(4,5)1(6)7/h6-9,14-16,18H,5,10-13,17H2,1-4H3,(H,29,30)(H,31,33);(H,6,7)
InChIKeyRNKZYTCYILFVKW-UHFFFAOYSA-N
XLogP4.07
TPSA150.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500652.69
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[ethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[ethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[ethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid (CID 66648178) is N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[ethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[ethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[ethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid is CCN(Cc1cc(C(=O)NCCc2ccc(C3=NCCN3)cc2)co1)S(=O)(=O)c1c(C)cc(OC)cc1C.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[ethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is RNKZYTCYILFVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O5S.C2HF3O2/c1-5-32(38(34,35)26-19(2)14-24(36-4)15-20(26)3)17-25-16-23(18-37-25)28(33)31-11-10-21-6-8-22(9-7-21)27-29-12-13-30-27;3-2(4,5)1(6)7/h6-9,14-16,18H,5,10-13,17H2,1-4H3,(H,29,30)(H,31,33);(H,6,7).
What are the key properties of N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[ethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[ethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 652.69 g/mol, XLogP of 4.07, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[ethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66648178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).