[3-(thiophene-2-carbonylamino)phenyl] 4-(furan-2-carbonylamino)benzoate

C23H16N2O5S — CID 86953657

IUPAC[3-(thiophene-2-carbonylamino)phenyl] 4-(furan-2-carbonylamino)benzoate
SMILESO=C(Oc1cccc(NC(=O)c2cccs2)c1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H16N2O5S/c26-21(19-6-2-12-29-19)24-16-10-8-15(9-11-16)23(28)30-18-5-1-4-17(14-18)25-22(27)20-7-3-13-31-20/h1-14H,(H,24,26)(H,25,27)
InChIKeyCLKVCVFLINLAME-UHFFFAOYSA-N
MW432.46 g/mol
LogP5.06
Rot. Bonds6

About [3-(thiophene-2-carbonylamino)phenyl] 4-(furan-2-carbonylamino)benzoate

[3-(thiophene-2-carbonylamino)phenyl] 4-(furan-2-carbonylamino)benzoate (PubChem CID 86953657) has the molecular formula C23H16N2O5S and a molecular weight of 432.46 g/mol. Its IUPAC name is [3-(thiophene-2-carbonylamino)phenyl] 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[3-(thiophene-2-carbonylamino)phenyl] 4-(furan-2-carbonylamino)benzoate
PubChem CID86953657
Molecular FormulaC23H16N2O5S
Molecular Weight432.46 g/mol
Exact Mass432.08
IUPAC Name[3-(thiophene-2-carbonylamino)phenyl] 4-(furan-2-carbonylamino)benzoate
SMILESO=C(Oc1cccc(NC(=O)c2cccs2)c1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H16N2O5S/c26-21(19-6-2-12-29-19)24-16-10-8-15(9-11-16)23(28)30-18-5-1-4-17(14-18)25-22(27)20-7-3-13-31-20/h1-14H,(H,24,26)(H,25,27)
InChIKeyCLKVCVFLINLAME-UHFFFAOYSA-N
XLogP5.06
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.46
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55831993
(3,4-dimethylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 761866
N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062754
[4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate
CID 34734309
(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 23995743
[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate
CID 34736693
N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide
CID 55616650
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
propan-2-yl 4-(thiophene-2-carbonylamino)benzoate
CID 718334
[3-(furan-2-carbonylamino)phenyl] 4-bromo-3-piperidin-1-ylsulfonylbenzoate
CID 1102156
propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 31306580
N-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide
CID 23856004

Frequently Asked Questions

What is the IUPAC name of [3-(thiophene-2-carbonylamino)phenyl] 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of [3-(thiophene-2-carbonylamino)phenyl] 4-(furan-2-carbonylamino)benzoate (CID 86953657) is [3-(thiophene-2-carbonylamino)phenyl] 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [3-(thiophene-2-carbonylamino)phenyl] 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [3-(thiophene-2-carbonylamino)phenyl] 4-(furan-2-carbonylamino)benzoate is O=C(Oc1cccc(NC(=O)c2cccs2)c1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of [3-(thiophene-2-carbonylamino)phenyl] 4-(furan-2-carbonylamino)benzoate?
The InChIKey is CLKVCVFLINLAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O5S/c26-21(19-6-2-12-29-19)24-16-10-8-15(9-11-16)23(28)30-18-5-1-4-17(14-18)25-22(27)20-7-3-13-31-20/h1-14H,(H,24,26)(H,25,27).
What are the key properties of [3-(thiophene-2-carbonylamino)phenyl] 4-(furan-2-carbonylamino)benzoate?
[3-(thiophene-2-carbonylamino)phenyl] 4-(furan-2-carbonylamino)benzoate has a molecular weight of 432.46 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(thiophene-2-carbonylamino)phenyl] 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 86953657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).