[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate

C23H23NO3S — CID 9230022

IUPAC[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate
SMILESCC[C@H](C(=O)OCC(=O)N[C@H](c1ccccc1)c1cccs1)c1ccccc1
InChIInChI=1S/C23H23NO3S/c1-2-19(17-10-5-3-6-11-17)23(26)27-16-21(25)24-22(20-14-9-15-28-20)18-12-7-4-8-13-18/h3-15,19,22H,2,16H2,1H3,(H,24,25)/t19-,22+/m0/s1
InChIKeyCKBFWWQOZJWPOM-SIKLNZKXSA-N
MW393.51 g/mol
LogP4.69
Rot. Bonds8

About [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate

[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate (PubChem CID 9230022) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate
PubChem CID9230022
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate
SMILESCC[C@H](C(=O)OCC(=O)N[C@H](c1ccccc1)c1cccs1)c1ccccc1
InChIInChI=1S/C23H23NO3S/c1-2-19(17-10-5-3-6-11-17)23(26)27-16-21(25)24-22(20-14-9-15-28-20)18-12-7-4-8-13-18/h3-15,19,22H,2,16H2,1H3,(H,24,25)/t19-,22+/m0/s1
InChIKeyCKBFWWQOZJWPOM-SIKLNZKXSA-N
XLogP4.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (E)-but-2-enoate
CID 9081020
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
2-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853842
2-(2-ethoxyphenoxy)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853848
cis-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 9230604
cis-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 9230605
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-(4-methylphenyl)acetate
CID 46611974
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2,6-difluorobenzoate
CID 46828846
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-acetamidobenzoate
CID 9016060
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] adamantane-1-carboxylate
CID 9017878

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate?
The IUPAC name of [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate (CID 9230022) is [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate.
What is the SMILES notation for [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate?
The canonical SMILES for [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate is CC[C@H](C(=O)OCC(=O)N[C@H](c1ccccc1)c1cccs1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate?
The InChIKey is CKBFWWQOZJWPOM-SIKLNZKXSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-2-19(17-10-5-3-6-11-17)23(26)27-16-21(25)24-22(20-14-9-15-28-20)18-12-7-4-8-13-18/h3-15,19,22H,2,16H2,1H3,(H,24,25)/t19-,22+/m0/s1.
What are the key properties of [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate?
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate has a molecular weight of 393.51 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate is sourced from PubChem (CID 9230022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).