ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate

C23H20N2O6S — CID 43029129

IUPACethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C23H20N2O6S/c1-2-30-23(29)17-6-3-4-7-18(17)25-20(26)14-31-22(28)15-9-11-16(12-10-15)24-21(27)19-8-5-13-32-19/h3-13H,2,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyQWYMQZHEJZXUHS-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.97
Rot. Bonds8

About ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate

ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate (PubChem CID 43029129) has the molecular formula C23H20N2O6S and a molecular weight of 452.49 g/mol. Its IUPAC name is ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
PubChem CID43029129
Molecular FormulaC23H20N2O6S
Molecular Weight452.49 g/mol
Exact Mass452.10
IUPAC Nameethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C23H20N2O6S/c1-2-30-23(29)17-6-3-4-7-18(17)25-20(26)14-31-22(28)15-9-11-16(12-10-15)24-21(27)19-8-5-13-32-19/h3-13H,2,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyQWYMQZHEJZXUHS-UHFFFAOYSA-N
XLogP3.97
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
[2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 30817856
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 30118695
[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815212
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815364
2-methylprop-2-enyl 4-(thiophene-2-carbonylamino)benzoate
CID 18122532
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 30118810
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate
CID 55537612
ethyl 4-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]benzoate
CID 2465519
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815244
ethyl 2-[(5-oxo-5-thiophen-2-ylpentanoyl)amino]benzoate
CID 31782399
ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211927

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate (CID 43029129) is ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate?
The InChIKey is QWYMQZHEJZXUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O6S/c1-2-30-23(29)17-6-3-4-7-18(17)25-20(26)14-31-22(28)15-9-11-16(12-10-15)24-21(27)19-8-5-13-32-19/h3-13H,2,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate?
ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate has a molecular weight of 452.49 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 43029129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).