[4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate

C20H17NO4S — CID 102603587

IUPAC[4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate
SMILESO=C(COCc1ccccc1)Oc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H17NO4S/c22-19(14-24-13-15-5-2-1-3-6-15)25-17-10-8-16(9-11-17)21-20(23)18-7-4-12-26-18/h1-12H,13-14H2,(H,21,23)
InChIKeyCBFLCWANCGVCSI-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.12
Rot. Bonds7

About [4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate

[4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate (PubChem CID 102603587) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is [4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate.

Molecular Properties

Compound Name[4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate
PubChem CID102603587
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Name[4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate
SMILESO=C(COCc1ccccc1)Oc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C20H17NO4S/c22-19(14-24-13-15-5-2-1-3-6-15)25-17-10-8-16(9-11-17)21-20(23)18-7-4-12-26-18/h1-12H,13-14H2,(H,21,23)
InChIKeyCBFLCWANCGVCSI-UHFFFAOYSA-N
XLogP4.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.12
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

benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate
CID 27711279
[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] 3-pyridin-3-ylpropanoate
CID 36666034
[4-(thiophene-2-carbonylamino)phenyl] 2-(2,4-dimethylphenoxy)acetate
CID 35596221
[4-(thiophene-2-carbonylamino)phenyl] 2-(3-nitrophenoxy)acetate
CID 46547004
(4-acetamidophenyl) 3-phenylmethoxypropanoate
CID 60546332
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
[4-(thiophene-2-carbonylamino)phenyl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 35625078
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
[4-(thiophene-2-carbonylamino)phenyl] 2-(2,4-dimethoxyphenyl)acetate
CID 39768822
[4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate
CID 34734309

Frequently Asked Questions

What is the IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate?
The IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate (CID 102603587) is [4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate.
What is the SMILES notation for [4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate?
The canonical SMILES for [4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate is O=C(COCc1ccccc1)Oc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of [4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate?
The InChIKey is CBFLCWANCGVCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c22-19(14-24-13-15-5-2-1-3-6-15)25-17-10-8-16(9-11-17)21-20(23)18-7-4-12-26-18/h1-12H,13-14H2,(H,21,23).
What are the key properties of [4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate?
[4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate has a molecular weight of 367.43 g/mol, XLogP of 4.12, 7 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-phenylmethoxyacetate is sourced from PubChem (CID 102603587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).