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

C32H37F3N4O7S — CID 67329216

IUPAC5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)N(C)CCc3ccc(C4=NCCN4)cc3)co2)C2CC2)c(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C30H36N4O5S.C2HF3O2/c1-20-15-26(38-4)16-21(2)28(20)40(36,37)34(25-9-10-25)18-27-17-24(19-39-27)30(35)33(3)14-11-22-5-7-23(8-6-22)29-31-12-13-32-29;3-2(4,5)1(6)7/h5-8,15-17,19,25H,9-14,18H2,1-4H3,(H,31,32);(H,6,7)
InChIKeySLURAURRILKALU-UHFFFAOYSA-N
MW678.73 g/mol
LogP4.56
Rot. Bonds11

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

5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 67329216) has the molecular formula C32H37F3N4O7S and a molecular weight of 678.73 g/mol. Its IUPAC name is 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID67329216
Molecular FormulaC32H37F3N4O7S
Molecular Weight678.73 g/mol
Exact Mass678.23
IUPAC Name5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)N(C)CCc3ccc(C4=NCCN4)cc3)co2)C2CC2)c(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C30H36N4O5S.C2HF3O2/c1-20-15-26(38-4)16-21(2)28(20)40(36,37)34(25-9-10-25)18-27-17-24(19-39-27)30(35)33(3)14-11-22-5-7-23(8-6-22)29-31-12-13-32-29;3-2(4,5)1(6)7/h5-8,15-17,19,25H,9-14,18H2,1-4H3,(H,31,32);(H,6,7)
InChIKeySLURAURRILKALU-UHFFFAOYSA-N
XLogP4.56
TPSA141.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500678.73
LogP ≤ 54.56
H-Bond Donors ≤ 52
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-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide;2,2,2-trifluoroacetic acid (CID 67329216) is 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide;2,2,2-trifluoroacetic acid is COc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)N(C)CCc3ccc(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-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is SLURAURRILKALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O5S.C2HF3O2/c1-20-15-26(38-4)16-21(2)28(20)40(36,37)34(25-9-10-25)18-27-17-24(19-39-27)30(35)33(3)14-11-22-5-7-23(8-6-22)29-31-12-13-32-29;3-2(4,5)1(6)7/h5-8,15-17,19,25H,9-14,18H2,1-4H3,(H,31,32);(H,6,7).
What are the key properties of 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide;2,2,2-trifluoroacetic acid?
5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 678.73 g/mol, XLogP of 4.56, 11 rotatable bonds, 2 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-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methylfuran-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67329216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).