propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate

C20H18N2O5S — CID 31306580

IUPACpropan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C20H18N2O5S/c1-12(2)27-20(25)13-5-7-14(8-6-13)21-19(24)16-9-10-17(28-16)22-18(23)15-4-3-11-26-15/h3-12H,1-2H3,(H,21,24)(H,22,23)
InChIKeyNEYLWXHSTYICIS-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.41
Rot. Bonds6

About propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate

propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate (PubChem CID 31306580) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
PubChem CID31306580
Molecular FormulaC20H18N2O5S
Molecular Weight398.44 g/mol
Exact Mass398.09
IUPAC Namepropan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C20H18N2O5S/c1-12(2)27-20(25)13-5-7-14(8-6-13)21-19(24)16-9-10-17(28-16)22-18(23)15-4-3-11-26-15/h3-12H,1-2H3,(H,21,24)(H,22,23)
InChIKeyNEYLWXHSTYICIS-UHFFFAOYSA-N
XLogP4.41
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[[4-(methylcarbamoylamino)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46518431
N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31301485
[1-(4-acetylanilino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 55511185
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 40642570
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 55510708
methyl 2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 134024119
N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60556284
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8993265
[2-(2-methylpropylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18149801
propan-2-yl 4-(thiophene-2-carbonylamino)benzoate
CID 718334
[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8909413
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 8993290

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate (CID 31306580) is propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1.
What is the InChIKey of propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate?
The InChIKey is NEYLWXHSTYICIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S/c1-12(2)27-20(25)13-5-7-14(8-6-13)21-19(24)16-9-10-17(28-16)22-18(23)15-4-3-11-26-15/h3-12H,1-2H3,(H,21,24)(H,22,23).
What are the key properties of propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate?
propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate has a molecular weight of 398.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate is sourced from PubChem (CID 31306580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).