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

C17H16N2O5S — CID 8662292

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C17H16N2O5S/c1-11(20)19-13-6-4-12(5-7-13)14(21)10-24-16(22)9-18-17(23)15-3-2-8-25-15/h2-8H,9-10H2,1H3,(H,18,23)(H,19,20)
InChIKeyMJPRTJCTEBXJCK-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.86
Rot. Bonds7

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

[2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (PubChem CID 8662292) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
PubChem CID8662292
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C17H16N2O5S/c1-11(20)19-13-6-4-12(5-7-13)14(21)10-24-16(22)9-18-17(23)15-3-2-8-25-15/h2-8H,9-10H2,1H3,(H,18,23)(H,19,20)
InChIKeyMJPRTJCTEBXJCK-UHFFFAOYSA-N
XLogP1.86
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 8662203
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662200
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8521613
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662283
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 8662107
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662268
(2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate
CID 8788738
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 55320213
N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18154158
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662439
[2-(4-bromophenyl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 43029130
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 809220

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (CID 8662292) is [2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is CC(=O)Nc1ccc(C(=O)COC(=O)CNC(=O)c2cccs2)cc1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is MJPRTJCTEBXJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-11(20)19-13-6-4-12(5-7-13)14(21)10-24-16(22)9-18-17(23)15-3-2-8-25-15/h2-8H,9-10H2,1H3,(H,18,23)(H,19,20).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 360.39 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 8662292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).