N-[(2R)-1-oxo-3-phenyl-1-[2-(2-phenylethylcarbamothioyl)hydrazinyl]propan-2-yl]furan-2-carboxamide

C23H24N4O3S — CID 35787090

IUPACN-[(2R)-1-oxo-3-phenyl-1-[2-(2-phenylethylcarbamothioyl)hydrazinyl]propan-2-yl]furan-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NNC(=S)NCCc1ccccc1)c1ccco1
InChIInChI=1S/C23H24N4O3S/c28-21(26-27-23(31)24-14-13-17-8-3-1-4-9-17)19(16-18-10-5-2-6-11-18)25-22(29)20-12-7-15-30-20/h1-12,15,19H,13-14,16H2,(H,25,29)(H,26,28)(H2,24,27,31)/t19-/m1/s1
InChIKeyZIYXCIMWCPRZBZ-LJQANCHMSA-N
MW436.54 g/mol
LogP2.36
Rot. Bonds8

About N-[(2R)-1-oxo-3-phenyl-1-[2-(2-phenylethylcarbamothioyl)hydrazinyl]propan-2-yl]furan-2-carboxamide

N-[(2R)-1-oxo-3-phenyl-1-[2-(2-phenylethylcarbamothioyl)hydrazinyl]propan-2-yl]furan-2-carboxamide (PubChem CID 35787090) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[(2R)-1-oxo-3-phenyl-1-[2-(2-phenylethylcarbamothioyl)hydrazinyl]propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-3-phenyl-1-[2-(2-phenylethylcarbamothioyl)hydrazinyl]propan-2-yl]furan-2-carboxamide
PubChem CID35787090
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-[(2R)-1-oxo-3-phenyl-1-[2-(2-phenylethylcarbamothioyl)hydrazinyl]propan-2-yl]furan-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NNC(=S)NCCc1ccccc1)c1ccco1
InChIInChI=1S/C23H24N4O3S/c28-21(26-27-23(31)24-14-13-17-8-3-1-4-9-17)19(16-18-10-5-2-6-11-18)25-22(29)20-12-7-15-30-20/h1-12,15,19H,13-14,16H2,(H,25,29)(H,26,28)(H2,24,27,31)/t19-/m1/s1
InChIKeyZIYXCIMWCPRZBZ-LJQANCHMSA-N
XLogP2.36
TPSA95.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[(2R)-1-oxo-3-phenyl-1-[2-(2-phenylethylcarbamothioyl)hydrazinyl]propan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

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-[1-[2-(2-fluorobenzoyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 84968457
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
N-[1-[(2-methyl-2-phenylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55612800
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 119629009
benzyl N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 9366703
2-[2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]ethylsulfanyl]acetic acid
CID 119241703
3-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119220848
2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119223465
N-[1-oxo-3-phenyl-1-(3-phenylprop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 51332524

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-3-phenyl-1-[2-(2-phenylethylcarbamothioyl)hydrazinyl]propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2R)-1-oxo-3-phenyl-1-[2-(2-phenylethylcarbamothioyl)hydrazinyl]propan-2-yl]furan-2-carboxamide (CID 35787090) is N-[(2R)-1-oxo-3-phenyl-1-[2-(2-phenylethylcarbamothioyl)hydrazinyl]propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-oxo-3-phenyl-1-[2-(2-phenylethylcarbamothioyl)hydrazinyl]propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2R)-1-oxo-3-phenyl-1-[2-(2-phenylethylcarbamothioyl)hydrazinyl]propan-2-yl]furan-2-carboxamide is O=C(N[C@H](Cc1ccccc1)C(=O)NNC(=S)NCCc1ccccc1)c1ccco1.
What is the InChIKey of N-[(2R)-1-oxo-3-phenyl-1-[2-(2-phenylethylcarbamothioyl)hydrazinyl]propan-2-yl]furan-2-carboxamide?
The InChIKey is ZIYXCIMWCPRZBZ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N4O3S/c28-21(26-27-23(31)24-14-13-17-8-3-1-4-9-17)19(16-18-10-5-2-6-11-18)25-22(29)20-12-7-15-30-20/h1-12,15,19H,13-14,16H2,(H,25,29)(H,26,28)(H2,24,27,31)/t19-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-3-phenyl-1-[2-(2-phenylethylcarbamothioyl)hydrazinyl]propan-2-yl]furan-2-carboxamide?
N-[(2R)-1-oxo-3-phenyl-1-[2-(2-phenylethylcarbamothioyl)hydrazinyl]propan-2-yl]furan-2-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 2.36, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-3-phenyl-1-[2-(2-phenylethylcarbamothioyl)hydrazinyl]propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 35787090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).