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

C30H33F3N4O7S — CID 67329093

IUPAC5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)NCc3ccc(C4=NCCN4)cc3)co2)C2CC2)c(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C28H32N4O5S.C2HF3O2/c1-18-12-24(36-3)13-19(2)26(18)38(34,35)32(23-8-9-23)16-25-14-22(17-37-25)28(33)31-15-20-4-6-21(7-5-20)27-29-10-11-30-27;3-2(4,5)1(6)7/h4-7,12-14,17,23H,8-11,15-16H2,1-3H3,(H,29,30)(H,31,33);(H,6,7)
InChIKeyFRXBJALBLCJRGC-UHFFFAOYSA-N
MW650.68 g/mol
LogP4.17
Rot. Bonds10

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

5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 67329093) has the molecular formula C30H33F3N4O7S and a molecular weight of 650.68 g/mol. Its IUPAC name is 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID67329093
Molecular FormulaC30H33F3N4O7S
Molecular Weight650.68 g/mol
Exact Mass650.20
IUPAC Name5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)NCc3ccc(C4=NCCN4)cc3)co2)C2CC2)c(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C28H32N4O5S.C2HF3O2/c1-18-12-24(36-3)13-19(2)26(18)38(34,35)32(23-8-9-23)16-25-14-22(17-37-25)28(33)31-15-20-4-6-21(7-5-20)27-29-10-11-30-27;3-2(4,5)1(6)7/h4-7,12-14,17,23H,8-11,15-16H2,1-3H3,(H,29,30)(H,31,33);(H,6,7)
InChIKeyFRXBJALBLCJRGC-UHFFFAOYSA-N
XLogP4.17
TPSA150.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.68
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid (CID 67329093) is 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid is COc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)NCc3ccc(C4=NCCN4)cc3)co2)C2CC2)c(C)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FRXBJALBLCJRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5S.C2HF3O2/c1-18-12-24(36-3)13-19(2)26(18)38(34,35)32(23-8-9-23)16-25-14-22(17-37-25)28(33)31-15-20-4-6-21(7-5-20)27-29-10-11-30-27;3-2(4,5)1(6)7/h4-7,12-14,17,23H,8-11,15-16H2,1-3H3,(H,29,30)(H,31,33);(H,6,7).
What are the key properties of 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 650.68 g/mol, XLogP of 4.17, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67329093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).