[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate

C21H25NO4S — CID 7683671

IUPAC[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)OCC(=O)N[C@@H](Cc2ccccc2)C(C)=O)sc1C
InChIInChI=1S/C21H25NO4S/c1-4-8-17-12-19(27-15(17)3)21(25)26-13-20(24)22-18(14(2)23)11-16-9-6-5-7-10-16/h5-7,9-10,12,18H,4,8,11,13H2,1-3H3,(H,22,24)/t18-/m0/s1
InChIKeyYBSGCTPLTJCSOI-SFHVURJKSA-N
MW387.50 g/mol
LogP3.48
Rot. Bonds9

About [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate

[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate (PubChem CID 7683671) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate
PubChem CID7683671
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC Name[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)OCC(=O)N[C@@H](Cc2ccccc2)C(C)=O)sc1C
InChIInChI=1S/C21H25NO4S/c1-4-8-17-12-19(27-15(17)3)21(25)26-13-20(24)22-18(14(2)23)11-16-9-6-5-7-10-16/h5-7,9-10,12,18H,4,8,11,13H2,1-3H3,(H,22,24)/t18-/m0/s1
InChIKeyYBSGCTPLTJCSOI-SFHVURJKSA-N
XLogP3.48
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8878337
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418710
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7623477
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7792393
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418970
[2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7683646
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-ethylsulfonylbenzoate
CID 8857117
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-propoxybenzoate
CID 7211954
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-propoxybenzoate
CID 7211953
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418951
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418690
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-methoxybenzoate
CID 7862103

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate (CID 7683671) is [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate is CCCc1cc(C(=O)OCC(=O)N[C@@H](Cc2ccccc2)C(C)=O)sc1C.
What is the InChIKey of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The InChIKey is YBSGCTPLTJCSOI-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25NO4S/c1-4-8-17-12-19(27-15(17)3)21(25)26-13-20(24)22-18(14(2)23)11-16-9-6-5-7-10-16/h5-7,9-10,12,18H,4,8,11,13H2,1-3H3,(H,22,24)/t18-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate?
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate has a molecular weight of 387.50 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate is sourced from PubChem (CID 7683671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).