[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-thiophen-3-ylacetate

C17H17NO4S — CID 7968658

IUPAC[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-thiophen-3-ylacetate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)Cc2ccsc2)cc1
InChIInChI=1S/C17H17NO4S/c1-2-16(20)18-14-5-3-13(4-6-14)15(19)10-22-17(21)9-12-7-8-23-11-12/h3-8,11H,2,9-10H2,1H3,(H,18,20)
InChIKeyXEJMKHYIGYFRQC-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.07
Rot. Bonds7

About [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-thiophen-3-ylacetate

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-thiophen-3-ylacetate (PubChem CID 7968658) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-thiophen-3-ylacetate
PubChem CID7968658
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-thiophen-3-ylacetate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)Cc2ccsc2)cc1
InChIInChI=1S/C17H17NO4S/c1-2-16(20)18-14-5-3-13(4-6-14)15(19)10-22-17(21)9-12-7-8-23-11-12/h3-8,11H,2,9-10H2,1H3,(H,18,20)
InChIKeyXEJMKHYIGYFRQC-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-[(thiophen-2-ylacetyl)amino]benzoate
CID 779619
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
2-(4-Acetamido-2-fluorophenyl)-2-oxoethyl thiophene-2-carboxylate
CID 9460276
Propyl 4-{[3-(2-thienyl)acryloyl]amino}benzoate
CID 2166331
4-[[(3-Methyl-2-thienyl)carbonyl]amino]benzoic acid
CID 3236748
4-Methyl-N-[4-(3-thiophen-2-yl-acryloyl)-phenyl]-benzamide
CID 5727407
ethyl 4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate
CID 2329433
4-(2-Thiophen-2-yl-acetylamino)-benzoic acid propyl ester
CID 2273311
Ethyl 4-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)benzoate
CID 769095
{4-[(2-Thienylcarbonyl)amino]phenyl}acetic acid
CID 888110
4-Propionylamino-benzoic acid 2-oxo-2-thiophen-2-yl-ethyl ester
CID 952031
ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoate
CID 2348924

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-thiophen-3-ylacetate (CID 7968658) is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-thiophen-3-ylacetate is CCC(=O)Nc1ccc(C(=O)COC(=O)Cc2ccsc2)cc1.
What is the InChIKey of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-thiophen-3-ylacetate?
The InChIKey is XEJMKHYIGYFRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-2-16(20)18-14-5-3-13(4-6-14)15(19)10-22-17(21)9-12-7-8-23-11-12/h3-8,11H,2,9-10H2,1H3,(H,18,20).
What are the key properties of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-thiophen-3-ylacetate?
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-thiophen-3-ylacetate has a molecular weight of 331.39 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 7968658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).