[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate

C23H19NO4S — CID 8835492

IUPAC[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
SMILESO=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C23H19NO4S/c25-20(19-11-6-14-29-19)17-9-4-5-10-18(17)23(27)28-21(15-7-2-1-3-8-15)22(26)24-16-12-13-16/h1-11,14,16,21H,12-13H2,(H,24,26)/t21-/m1/s1
InChIKeyZHNMPCYDXXMASK-OAQYLSRUSA-N
MW405.48 g/mol
LogP4.16
Rot. Bonds7

About [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate (PubChem CID 8835492) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate.

Molecular Properties

Compound Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
PubChem CID8835492
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
SMILESO=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C23H19NO4S/c25-20(19-11-6-14-29-19)17-9-4-5-10-18(17)23(27)28-21(15-7-2-1-3-8-15)22(26)24-16-12-13-16/h1-11,14,16,21H,12-13H2,(H,24,26)/t21-/m1/s1
InChIKeyZHNMPCYDXXMASK-OAQYLSRUSA-N
XLogP4.16
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate with MolForge

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Related Compounds

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
CID 8835498
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
CID 8835500
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 55390691
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927503
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 9414572
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-ethylsulfanylbenzoate
CID 8722117
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 9491795
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate
CID 18198939
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate
CID 9415143
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9414934
[(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate
CID 849635
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonyl)benzoate
CID 8970571

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate?
The IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate (CID 8835492) is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate.
What is the SMILES notation for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate?
The canonical SMILES for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate is O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1C(=O)c1cccs1.
What is the InChIKey of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate?
The InChIKey is ZHNMPCYDXXMASK-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H19NO4S/c25-20(19-11-6-14-29-19)17-9-4-5-10-18(17)23(27)28-21(15-7-2-1-3-8-15)22(26)24-16-12-13-16/h1-11,14,16,21H,12-13H2,(H,24,26)/t21-/m1/s1.
What are the key properties of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate?
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate has a molecular weight of 405.48 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate is sourced from PubChem (CID 8835492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).