[4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate

C20H16FNO3S — CID 35624176

IUPAC[4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate
SMILESO=C(CCc1ccc(F)cc1)Oc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H16FNO3S/c21-15-6-3-14(4-7-15)5-12-19(23)25-17-10-8-16(9-11-17)22-20(24)18-2-1-13-26-18/h1-4,6-11,13H,5,12H2,(H,22,24)
InChIKeyHJGQMFIPHPUGPK-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.68
Rot. Bonds6

About [4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate

[4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate (PubChem CID 35624176) has the molecular formula C20H16FNO3S and a molecular weight of 369.42 g/mol. Its IUPAC name is [4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Name[4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate
PubChem CID35624176
Molecular FormulaC20H16FNO3S
Molecular Weight369.42 g/mol
Exact Mass369.08
IUPAC Name[4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate
SMILESO=C(CCc1ccc(F)cc1)Oc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H16FNO3S/c21-15-6-3-14(4-7-15)5-12-19(23)25-17-10-8-16(9-11-17)22-20(24)18-2-1-13-26-18/h1-4,6-11,13H,5,12H2,(H,22,24)
InChIKeyHJGQMFIPHPUGPK-UHFFFAOYSA-N
XLogP4.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(thiophene-2-carbonylamino)phenyl] 3-(4-methoxyphenyl)propanoate
CID 34756076
[4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate
CID 36666034
[4-(thiophene-2-carbonylamino)phenyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 36666713
[4-(thiophene-2-carbonylamino)phenyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 30257558
[4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate
CID 102603587
[4-(thiophene-2-carbonylamino)phenyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate
CID 55538756
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
N-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide
CID 2307498
[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 55374909
[4-(thiophene-2-carbonylamino)phenyl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 35625078
(4-fluorophenyl) 3-(4-methylphenyl)propanoate
CID 19220615
N-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31520800

Frequently Asked Questions

What is the IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate?
The IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate (CID 35624176) is [4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate.
What is the SMILES notation for [4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate?
The canonical SMILES for [4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate is O=C(CCc1ccc(F)cc1)Oc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of [4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate?
The InChIKey is HJGQMFIPHPUGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3S/c21-15-6-3-14(4-7-15)5-12-19(23)25-17-10-8-16(9-11-17)22-20(24)18-2-1-13-26-18/h1-4,6-11,13H,5,12H2,(H,22,24).
What are the key properties of [4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate?
[4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate has a molecular weight of 369.42 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate is sourced from PubChem (CID 35624176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).