[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium

C24H23N2O2S+ — CID 8756545

IUPAC[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
SMILESO=C(C[NH2+][C@H](c1ccccc1)c1ccco1)N[C@H](c1ccccc1)c1cccs1
InChIInChI=1S/C24H22N2O2S/c27-22(26-24(21-14-8-16-29-21)19-11-5-2-6-12-19)17-25-23(20-13-7-15-28-20)18-9-3-1-4-10-18/h1-16,23-25H,17H2,(H,26,27)/p+1/t23-,24-/m1/s1
InChIKeyNTZMZXUECVWCBQ-DNQXCXABSA-O
MW403.53 g/mol
LogP3.90
Rot. Bonds8

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

[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium (PubChem CID 8756545) has the molecular formula C24H23N2O2S+ and a molecular weight of 403.53 g/mol. Its IUPAC name is [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium.

Molecular Properties

Compound Name[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
PubChem CID8756545
Molecular FormulaC24H23N2O2S+
Molecular Weight403.53 g/mol
Exact Mass403.15
IUPAC Name[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium
SMILESO=C(C[NH2+][C@H](c1ccccc1)c1ccco1)N[C@H](c1ccccc1)c1cccs1
InChIInChI=1S/C24H22N2O2S/c27-22(26-24(21-14-8-16-29-21)19-11-5-2-6-12-19)17-25-23(20-13-7-15-28-20)18-9-3-1-4-10-18/h1-16,23-25H,17H2,(H,26,27)/p+1/t23-,24-/m1/s1
InChIKeyNTZMZXUECVWCBQ-DNQXCXABSA-O
XLogP3.90
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8866542
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 8756017
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 8756015
[2-(2,6-dichloroanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696127
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8756517
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755063
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755619
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755061
2-(2-fluorophenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8854118
[(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium
CID 8755033
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 8862238

Frequently Asked Questions

What is the IUPAC name of [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
The IUPAC name of [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium (CID 8756545) is [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium.
What is the SMILES notation for [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
The canonical SMILES for [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium is O=C(C[NH2+][C@H](c1ccccc1)c1ccco1)N[C@H](c1ccccc1)c1cccs1.
What is the InChIKey of [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
The InChIKey is NTZMZXUECVWCBQ-DNQXCXABSA-O. The full InChI is InChI=1S/C24H22N2O2S/c27-22(26-24(21-14-8-16-29-21)19-11-5-2-6-12-19)17-25-23(20-13-7-15-28-20)18-9-3-1-4-10-18/h1-16,23-25H,17H2,(H,26,27)/p+1/t23-,24-/m1/s1.
What are the key properties of [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium?
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium has a molecular weight of 403.53 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium is sourced from PubChem (CID 8756545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).