N-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide

C22H19F3N2O4 — CID 34553727

IUPACN-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1OC(F)(F)F)c1ccco1
InChIInChI=1S/C22H19F3N2O4/c23-22(24,25)31-18-10-5-4-9-16(18)14-26-20(28)17(13-15-7-2-1-3-8-15)27-21(29)19-11-6-12-30-19/h1-12,17H,13-14H2,(H,26,28)(H,27,29)/t17-/m0/s1
InChIKeyNBZYVBOPIFVXQE-KRWDZBQOSA-N
MW432.40 g/mol
LogP3.84
Rot. Bonds8

About N-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide

N-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide (PubChem CID 34553727) has the molecular formula C22H19F3N2O4 and a molecular weight of 432.40 g/mol. Its IUPAC name is N-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide
PubChem CID34553727
Molecular FormulaC22H19F3N2O4
Molecular Weight432.40 g/mol
Exact Mass432.13
IUPAC NameN-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1OC(F)(F)F)c1ccco1
InChIInChI=1S/C22H19F3N2O4/c23-22(24,25)31-18-10-5-4-9-16(18)14-26-20(28)17(13-15-7-2-1-3-8-15)27-21(29)19-11-6-12-30-19/h1-12,17H,13-14H2,(H,26,28)(H,27,29)/t17-/m0/s1
InChIKeyNBZYVBOPIFVXQE-KRWDZBQOSA-N
XLogP3.84
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-oxo-2-[[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]ethyl]furan-2-carboxamide
CID 24586582
N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide
CID 17464973
N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46542128
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 119629009
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46476107
N-[1-[(2-methyl-2-phenylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55612800
methyl 5-[[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 55612597
N-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide
CID 46475647

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide (CID 34553727) is N-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide is O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1OC(F)(F)F)c1ccco1.
What is the InChIKey of N-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide?
The InChIKey is NBZYVBOPIFVXQE-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H19F3N2O4/c23-22(24,25)31-18-10-5-4-9-16(18)14-26-20(28)17(13-15-7-2-1-3-8-15)27-21(29)19-11-6-12-30-19/h1-12,17H,13-14H2,(H,26,28)(H,27,29)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide?
N-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide has a molecular weight of 432.40 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-3-phenyl-1-[[2-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 34553727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).