[4-(thiophene-2-carbonylamino)phenyl] 2-(3-fluoro-4-methoxyphenyl)acetate

C20H16FNO4S — CID 36666713

IUPAC[4-(thiophene-2-carbonylamino)phenyl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc1F
InChIInChI=1S/C20H16FNO4S/c1-25-17-9-4-13(11-16(17)21)12-19(23)26-15-7-5-14(6-8-15)22-20(24)18-3-2-10-27-18/h2-11H,12H2,1H3,(H,22,24)
InChIKeyZMFICAZUYJVOTR-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.30
Rot. Bonds6

About [4-(thiophene-2-carbonylamino)phenyl] 2-(3-fluoro-4-methoxyphenyl)acetate

[4-(thiophene-2-carbonylamino)phenyl] 2-(3-fluoro-4-methoxyphenyl)acetate (PubChem CID 36666713) has the molecular formula C20H16FNO4S and a molecular weight of 385.42 g/mol. Its IUPAC name is [4-(thiophene-2-carbonylamino)phenyl] 2-(3-fluoro-4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[4-(thiophene-2-carbonylamino)phenyl] 2-(3-fluoro-4-methoxyphenyl)acetate
PubChem CID36666713
Molecular FormulaC20H16FNO4S
Molecular Weight385.42 g/mol
Exact Mass385.08
IUPAC Name[4-(thiophene-2-carbonylamino)phenyl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc1F
InChIInChI=1S/C20H16FNO4S/c1-25-17-9-4-13(11-16(17)21)12-19(23)26-15-7-5-14(6-8-15)22-20(24)18-3-2-10-27-18/h2-11H,12H2,1H3,(H,22,24)
InChIKeyZMFICAZUYJVOTR-UHFFFAOYSA-N
XLogP4.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(thiophene-2-carbonylamino)phenyl] 2-(2,4-dimethoxyphenyl)acetate
CID 39768822
[4-(thiophene-2-carbonylamino)phenyl] 3-(4-methoxyphenyl)propanoate
CID 34756076
[4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate
CID 35624176
[4-(thiophene-2-carbonylamino)phenyl] 2-(2,4-dimethylphenoxy)acetate
CID 35596221
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518535
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
[4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate
CID 102603587
N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 78839112
N-[2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121062906
N-[4-[N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4575514
N-[4-(difluoromethoxy)phenyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9046569
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770

Frequently Asked Questions

What is the IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] 2-(3-fluoro-4-methoxyphenyl)acetate (CID 36666713) is [4-(thiophene-2-carbonylamino)phenyl] 2-(3-fluoro-4-methoxyphenyl)acetate.
What is the SMILES notation for [4-(thiophene-2-carbonylamino)phenyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The canonical SMILES for [4-(thiophene-2-carbonylamino)phenyl] 2-(3-fluoro-4-methoxyphenyl)acetate is COc1ccc(CC(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc1F.
What is the InChIKey of [4-(thiophene-2-carbonylamino)phenyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The InChIKey is ZMFICAZUYJVOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4S/c1-25-17-9-4-13(11-16(17)21)12-19(23)26-15-7-5-14(6-8-15)22-20(24)18-3-2-10-27-18/h2-11H,12H2,1H3,(H,22,24).
What are the key properties of [4-(thiophene-2-carbonylamino)phenyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
[4-(thiophene-2-carbonylamino)phenyl] 2-(3-fluoro-4-methoxyphenyl)acetate has a molecular weight of 385.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(thiophene-2-carbonylamino)phenyl] 2-(3-fluoro-4-methoxyphenyl)acetate is sourced from PubChem (CID 36666713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).