[2-(4-ethylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate

C17H17NO4S — CID 3158563

IUPAC[2-(4-ethylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCCc1ccc(C(=O)COC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C17H17NO4S/c1-2-12-5-7-13(8-6-12)14(19)11-22-16(20)10-18-17(21)15-4-3-9-23-15/h3-9H,2,10-11H2,1H3,(H,18,21)
InChIKeyCVWOEDLGGLOVQK-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.47
Rot. Bonds7

About [2-(4-ethylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate

[2-(4-ethylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (PubChem CID 3158563) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
PubChem CID3158563
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name[2-(4-ethylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCCc1ccc(C(=O)COC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C17H17NO4S/c1-2-12-5-7-13(8-6-12)14(19)11-22-16(20)10-18-17(21)15-4-3-9-23-15/h3-9H,2,10-11H2,1H3,(H,18,21)
InChIKeyCVWOEDLGGLOVQK-UHFFFAOYSA-N
XLogP2.47
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

{2-[(Thiophene-2-carbonyl)-amino]-acetylamino}-acetic acid 2-oxo-2-phenyl-ethyl ester
CID 1619081
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2364508
2-Oxo-2-[(thiophen-2-ylmethyl)amino]ethyl 2-methylbenzoate
CID 2480348
Phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2578853
(2-Oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate
CID 3154684
[1-(4-Fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3220334
Ethyl 3-(4-methylphenyl)-3-(2-thienylcarbonylamino)propanoate
CID 4989028
Benzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate
CID 24819879
2-(4-ethylphenyl)-2-oxoethyl N-(phenylcarbonyl)methioninate
CID 2913623
2-Oxo-2-(2-thienyl)ethyl ({[(4-methylbenzoyl)amino]acetyl}amino)acetate
CID 1614532
(2-morpholin-4-yl-2-oxoethyl) (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2097635
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 3,4-dimethylbenzoate
CID 2364533

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (CID 3158563) is [2-(4-ethylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for [2-(4-ethylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for [2-(4-ethylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is CCc1ccc(C(=O)COC(=O)CNC(=O)c2cccs2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is CVWOEDLGGLOVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-2-12-5-7-13(8-6-12)14(19)11-22-16(20)10-18-17(21)15-4-3-9-23-15/h3-9H,2,10-11H2,1H3,(H,18,21).
What are the key properties of [2-(4-ethylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
[2-(4-ethylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 331.39 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 3158563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).