[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate

C24H23NO4S — CID 8923167

IUPAC[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1sccc1-c1ccc(C)cc1
InChIInChI=1S/C24H23NO4S/c1-16-8-10-19(11-9-16)20-12-13-30-23(20)24(28)29-15-22(27)25-21(17(2)26)14-18-6-4-3-5-7-18/h3-13,21H,14-15H2,1-2H3,(H,25,27)/t21-/m1/s1
InChIKeyDVAOBLLMSBQBKF-OAQYLSRUSA-N
MW421.52 g/mol
LogP4.20
Rot. Bonds8

About [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate

[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate (PubChem CID 8923167) has the molecular formula C24H23NO4S and a molecular weight of 421.52 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
PubChem CID8923167
Molecular FormulaC24H23NO4S
Molecular Weight421.52 g/mol
Exact Mass421.13
IUPAC Name[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1sccc1-c1ccc(C)cc1
InChIInChI=1S/C24H23NO4S/c1-16-8-10-19(11-9-16)20-12-13-30-23(20)24(28)29-15-22(27)25-21(17(2)26)14-18-6-4-3-5-7-18/h3-13,21H,14-15H2,1-2H3,(H,25,27)/t21-/m1/s1
InChIKeyDVAOBLLMSBQBKF-OAQYLSRUSA-N
XLogP4.20
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 8923156
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methylbenzoate
CID 55397418
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735629
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8878337
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-methoxybenzoate
CID 7862103
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-methoxybenzoate
CID 7811805
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 8761390
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-phenoxybenzoate
CID 7838118
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2,6-dimethylquinoline-3-carboxylate
CID 18272332
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 42980888
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 3,4-difluorobenzoate
CID 46816147
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727490

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate (CID 8923167) is [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate is CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1sccc1-c1ccc(C)cc1.
What is the InChIKey of [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate?
The InChIKey is DVAOBLLMSBQBKF-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23NO4S/c1-16-8-10-19(11-9-16)20-12-13-30-23(20)24(28)29-15-22(27)25-21(17(2)26)14-18-6-4-3-5-7-18/h3-13,21H,14-15H2,1-2H3,(H,25,27)/t21-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate?
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate has a molecular weight of 421.52 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 8923167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).