5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid

C32H37F4N3O7S — CID 67328451

IUPAC5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)NCc3ccc(CN4CCCC4)c(F)c3)co2)C2CC2)c(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C30H36FN3O5S.C2HF3O2/c1-20-12-26(38-3)13-21(2)29(20)40(36,37)34(25-8-9-25)18-27-15-24(19-39-27)30(35)32-16-22-6-7-23(28(31)14-22)17-33-10-4-5-11-33;3-2(4,5)1(6)7/h6-7,12-15,19,25H,4-5,8-11,16-18H2,1-3H3,(H,32,35);(H,6,7)
InChIKeyRJDCPRVWENZQNK-UHFFFAOYSA-N
MW683.72 g/mol
LogP5.56
Rot. Bonds11

About 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid

5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 67328451) has the molecular formula C32H37F4N3O7S and a molecular weight of 683.72 g/mol. Its IUPAC name is 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID67328451
Molecular FormulaC32H37F4N3O7S
Molecular Weight683.72 g/mol
Exact Mass683.23
IUPAC Name5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)NCc3ccc(CN4CCCC4)c(F)c3)co2)C2CC2)c(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C30H36FN3O5S.C2HF3O2/c1-20-12-26(38-3)13-21(2)29(20)40(36,37)34(25-8-9-25)18-27-15-24(19-39-27)30(35)32-16-22-6-7-23(28(31)14-22)17-33-10-4-5-11-33;3-2(4,5)1(6)7/h6-7,12-15,19,25H,4-5,8-11,16-18H2,1-3H3,(H,32,35);(H,6,7)
InChIKeyRJDCPRVWENZQNK-UHFFFAOYSA-N
XLogP5.56
TPSA129.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.72
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
CID 46176073
N-[[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]furan-3-carboxamide
CID 46176074
N-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylfuran-3-carboxamide
CID 58393093
N-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]furan-3-carboxamide
CID 58393103
N-[[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]furan-3-carboxamide
CID 58393144
5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 58393218
N-[[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylfuran-3-carboxamide
CID 58393322
5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[2-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 58393354
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]furan-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 66648033
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-[[[2-(hydroxymethyl)-4-methoxy-6-methylphenyl]sulfonyl-methylamino]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
CID 66648070
[2-[[4-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethylcarbamoyl]furan-2-yl]methyl-methylsulfamoyl]-5-methoxy-3-methylphenyl]methyl 2,2,2-trifluoroacetate
CID 66648071
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

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid (CID 67328451) is 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)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-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid is COc1cc(C)c(S(=O)(=O)N(Cc2cc(C(=O)NCc3ccc(CN4CCCC4)c(F)c3)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-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is RJDCPRVWENZQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN3O5S.C2HF3O2/c1-20-12-26(38-3)13-21(2)29(20)40(36,37)34(25-8-9-25)18-27-15-24(19-39-27)30(35)32-16-22-6-7-23(28(31)14-22)17-33-10-4-5-11-33;3-2(4,5)1(6)7/h6-7,12-15,19,25H,4-5,8-11,16-18H2,1-3H3,(H,32,35);(H,6,7).
What are the key properties of 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid?
5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 683.72 g/mol, XLogP of 5.56, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-N-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67328451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).