[(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium

C16H17F3N3O3+ — CID 8756495

IUPAC[(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium
SMILESO=C(C[NH2+][C@@H](c1ccccc1)c1ccco1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C16H16F3N3O3/c17-16(18,19)10-21-15(24)22-13(23)9-20-14(12-7-4-8-25-12)11-5-2-1-3-6-11/h1-8,14,20H,9-10H2,(H2,21,22,23,24)/p+1/t14-/m0/s1
InChIKeyKJDXSVBAUYQKFN-AWEZNQCLSA-O
MW356.32 g/mol
LogP1.32
Rot. Bonds6

About [(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium

[(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium (PubChem CID 8756495) has the molecular formula C16H17F3N3O3+ and a molecular weight of 356.32 g/mol. Its IUPAC name is [(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium.

Molecular Properties

Compound Name[(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium
PubChem CID8756495
Molecular FormulaC16H17F3N3O3+
Molecular Weight356.32 g/mol
Exact Mass356.12
IUPAC Name[(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium
SMILESO=C(C[NH2+][C@@H](c1ccccc1)c1ccco1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C16H16F3N3O3/c17-16(18,19)10-21-15(24)22-13(23)9-20-14(12-7-4-8-25-12)11-5-2-1-3-6-11/h1-8,14,20H,9-10H2,(H2,21,22,23,24)/p+1/t14-/m0/s1
InChIKeyKJDXSVBAUYQKFN-AWEZNQCLSA-O
XLogP1.32
TPSA87.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium with MolForge

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Related Compounds

2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8756496
[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755215
[(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium
CID 8755033
benzhydryl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
CID 8545445
[2-(2,6-dichloroanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696127
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8756517
2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8596621
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 8755105
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8756043
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
CID 9136398
benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium
CID 8000618
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
CID 8756545

Frequently Asked Questions

What is the IUPAC name of [(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium?
The IUPAC name of [(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium (CID 8756495) is [(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium.
What is the SMILES notation for [(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium?
The canonical SMILES for [(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium is O=C(C[NH2+][C@@H](c1ccccc1)c1ccco1)NC(=O)NCC(F)(F)F.
What is the InChIKey of [(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium?
The InChIKey is KJDXSVBAUYQKFN-AWEZNQCLSA-O. The full InChI is InChI=1S/C16H16F3N3O3/c17-16(18,19)10-21-15(24)22-13(23)9-20-14(12-7-4-8-25-12)11-5-2-1-3-6-11/h1-8,14,20H,9-10H2,(H2,21,22,23,24)/p+1/t14-/m0/s1.
What are the key properties of [(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium?
[(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium has a molecular weight of 356.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]azanium is sourced from PubChem (CID 8756495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).