[(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate

C22H21NO4S — CID 7404259

IUPAC[(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate
SMILESCOc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H21NO4S/c1-26-18-11-9-17(10-12-18)20(27-22(25)19-8-5-15-28-19)21(24)23-14-13-16-6-3-2-4-7-16/h2-12,15,20H,13-14H2,1H3,(H,23,24)/t20-/m1/s1
InChIKeyUUSYXKLWQXSUKS-HXUWFJFHSA-N
MW395.48 g/mol
LogP4.01
Rot. Bonds8

About [(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate

[(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate (PubChem CID 7404259) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is [(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate
PubChem CID7404259
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC Name[(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate
SMILESCOc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H21NO4S/c1-26-18-11-9-17(10-12-18)20(27-22(25)19-8-5-15-28-19)21(24)23-14-13-16-6-3-2-4-7-16/h2-12,15,20H,13-14H2,1H3,(H,23,24)/t20-/m1/s1
InChIKeyUUSYXKLWQXSUKS-HXUWFJFHSA-N
XLogP4.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 654711
[(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 51684466
[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3219064
[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl] thiophene-2-carboxylate
CID 7408897
[(1S)-2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 1470241
[(1S)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 51686573
[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate
CID 43817599
[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate
CID 43814239
[1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 3227610
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 27548616
[(2S)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1470123
N-benzyl-2-(4-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 110296909

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate?
The IUPAC name of [(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate (CID 7404259) is [(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate.
What is the SMILES notation for [(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate?
The canonical SMILES for [(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate is COc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of [(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate?
The InChIKey is UUSYXKLWQXSUKS-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-26-18-11-9-17(10-12-18)20(27-22(25)19-8-5-15-28-19)21(24)23-14-13-16-6-3-2-4-7-16/h2-12,15,20H,13-14H2,1H3,(H,23,24)/t20-/m1/s1.
What are the key properties of [(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate?
[(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate has a molecular weight of 395.48 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate is sourced from PubChem (CID 7404259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).