cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium

C23H24FN2OS+ — CID 8906889

IUPACcyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
SMILESO=C(C[NH+](Cc1ccc(F)cc1)C1CC1)N[C@H](c1ccccc1)c1cccs1
InChIInChI=1S/C23H23FN2OS/c24-19-10-8-17(9-11-19)15-26(20-12-13-20)16-22(27)25-23(21-7-4-14-28-21)18-5-2-1-3-6-18/h1-11,14,20,23H,12-13,15-16H2,(H,25,27)/p+1/t23-/m1/s1
InChIKeyXYVLXHUMZHITGE-HSZRJFAPSA-O
MW395.52 g/mol
LogP3.34
Rot. Bonds8

About cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium

cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium (PubChem CID 8906889) has the molecular formula C23H24FN2OS+ and a molecular weight of 395.52 g/mol. Its IUPAC name is cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
PubChem CID8906889
Molecular FormulaC23H24FN2OS+
Molecular Weight395.52 g/mol
Exact Mass395.16
IUPAC Namecyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
SMILESO=C(C[NH+](Cc1ccc(F)cc1)C1CC1)N[C@H](c1ccccc1)c1cccs1
InChIInChI=1S/C23H23FN2OS/c24-19-10-8-17(9-11-19)15-26(20-12-13-20)16-22(27)25-23(21-7-4-14-28-21)18-5-2-1-3-6-18/h1-11,14,20,23H,12-13,15-16H2,(H,25,27)/p+1/t23-/m1/s1
InChIKeyXYVLXHUMZHITGE-HSZRJFAPSA-O
XLogP3.34
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium with MolForge

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Related Compounds

cyclopropyl-[(4-fluorophenyl)methyl]-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]azanium
CID 8906826
1,3-benzodioxol-5-ylmethyl-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-methylazanium
CID 8924790
2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46565052
cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905006
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-(2-fluorophenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8854118
2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9290006
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 9334071
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41209121
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41209119
(E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide
CID 8853725
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
The IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium (CID 8906889) is cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium.
What is the SMILES notation for cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
The canonical SMILES for cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium is O=C(C[NH+](Cc1ccc(F)cc1)C1CC1)N[C@H](c1ccccc1)c1cccs1.
What is the InChIKey of cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
The InChIKey is XYVLXHUMZHITGE-HSZRJFAPSA-O. The full InChI is InChI=1S/C23H23FN2OS/c24-19-10-8-17(9-11-19)15-26(20-12-13-20)16-22(27)25-23(21-7-4-14-28-21)18-5-2-1-3-6-18/h1-11,14,20,23H,12-13,15-16H2,(H,25,27)/p+1/t23-/m1/s1.
What are the key properties of cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium has a molecular weight of 395.52 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium is sourced from PubChem (CID 8906889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).