[1-(4-acetylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate

C21H18N2O6S — CID 55511185

IUPAC[1-(4-acetylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
SMILESCC(=O)c1ccc(NC(=O)C(C)OC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C21H18N2O6S/c1-12(24)14-5-7-15(8-6-14)22-19(25)13(2)29-21(27)17-9-10-18(30-17)23-20(26)16-4-3-11-28-16/h3-11,13H,1-2H3,(H,22,25)(H,23,26)
InChIKeyIPGILBMKTUBHHZ-UHFFFAOYSA-N
MW426.45 g/mol
LogP3.98
Rot. Bonds7

About [1-(4-acetylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate

[1-(4-acetylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate (PubChem CID 55511185) has the molecular formula C21H18N2O6S and a molecular weight of 426.45 g/mol. Its IUPAC name is [1-(4-acetylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Name[1-(4-acetylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
PubChem CID55511185
Molecular FormulaC21H18N2O6S
Molecular Weight426.45 g/mol
Exact Mass426.09
IUPAC Name[1-(4-acetylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
SMILESCC(=O)c1ccc(NC(=O)C(C)OC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C21H18N2O6S/c1-12(24)14-5-7-15(8-6-14)22-19(25)13(2)29-21(27)17-9-10-18(30-17)23-20(26)16-4-3-11-28-16/h3-11,13H,1-2H3,(H,22,25)(H,23,26)
InChIKeyIPGILBMKTUBHHZ-UHFFFAOYSA-N
XLogP3.98
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 31306580
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 55510708
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566217
[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18287735
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 55511428
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8993290
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8993265
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 7486717
N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31301485
N-[5-[[4-(methylcarbamoylamino)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46518431
[1-(4-acetylanilino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 43030527
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 40642570

Frequently Asked Questions

What is the IUPAC name of [1-(4-acetylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of [1-(4-acetylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate (CID 55511185) is [1-(4-acetylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for [1-(4-acetylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for [1-(4-acetylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate is CC(=O)c1ccc(NC(=O)C(C)OC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1.
What is the InChIKey of [1-(4-acetylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
The InChIKey is IPGILBMKTUBHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O6S/c1-12(24)14-5-7-15(8-6-14)22-19(25)13(2)29-21(27)17-9-10-18(30-17)23-20(26)16-4-3-11-28-16/h3-11,13H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of [1-(4-acetylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
[1-(4-acetylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate has a molecular weight of 426.45 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 55511185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).