[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate

C22H21NO4S — CID 7765424

IUPAC[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](OC(=O)Cc1ccsc1)c1ccccc1
InChIInChI=1S/C22H21NO4S/c1-15-8-9-19(26-2)18(12-15)23-22(25)21(17-6-4-3-5-7-17)27-20(24)13-16-10-11-28-14-16/h3-12,14,21H,13H2,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyAVCMJILKMFUCBU-NRFANRHFSA-N
MW395.48 g/mol
LogP4.53
Rot. Bonds7

About [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate

[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate (PubChem CID 7765424) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate
PubChem CID7765424
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC Name[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](OC(=O)Cc1ccsc1)c1ccccc1
InChIInChI=1S/C22H21NO4S/c1-15-8-9-19(26-2)18(12-15)23-22(25)21(17-6-4-3-5-7-17)27-20(24)13-16-10-11-28-14-16/h3-12,14,21H,13H2,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyAVCMJILKMFUCBU-NRFANRHFSA-N
XLogP4.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate with MolForge

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Related Compounds

[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate
CID 7950653
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 41384630
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(3-methylphenoxy)acetate
CID 7853368
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
CID 7722308
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 55393089
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063477
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate
CID 42963745
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate
CID 4853970
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] (E)-but-2-enoate
CID 2507805
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 4783200

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate (CID 7765424) is [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate is COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)Cc1ccsc1)c1ccccc1.
What is the InChIKey of [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate?
The InChIKey is AVCMJILKMFUCBU-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-15-8-9-19(26-2)18(12-15)23-22(25)21(17-6-4-3-5-7-17)27-20(24)13-16-10-11-28-14-16/h3-12,14,21H,13H2,1-2H3,(H,23,25)/t21-/m0/s1.
What are the key properties of [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate?
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate has a molecular weight of 395.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 7765424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).