[4-(thiophene-2-carbonylamino)phenyl] (E)-3-pyridin-2-ylprop-2-enoate

C19H14N2O3S — CID 87023750

IUPAC[4-(thiophene-2-carbonylamino)phenyl] (E)-3-pyridin-2-ylprop-2-enoate
SMILESO=C(/C=C/c1ccccn1)Oc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H14N2O3S/c22-18(11-8-14-4-1-2-12-20-14)24-16-9-6-15(7-10-16)21-19(23)17-5-3-13-25-17/h1-13H,(H,21,23)/b11-8+
InChIKeyPVNHQVFJAZHQRJ-DHZHZOJOSA-N
MW350.40 g/mol
LogP4.01
Rot. Bonds5

About [4-(thiophene-2-carbonylamino)phenyl] (E)-3-pyridin-2-ylprop-2-enoate

[4-(thiophene-2-carbonylamino)phenyl] (E)-3-pyridin-2-ylprop-2-enoate (PubChem CID 87023750) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is [4-(thiophene-2-carbonylamino)phenyl] (E)-3-pyridin-2-ylprop-2-enoate.

Molecular Properties

Compound Name[4-(thiophene-2-carbonylamino)phenyl] (E)-3-pyridin-2-ylprop-2-enoate
PubChem CID87023750
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC Name[4-(thiophene-2-carbonylamino)phenyl] (E)-3-pyridin-2-ylprop-2-enoate
SMILESO=C(/C=C/c1ccccn1)Oc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H14N2O3S/c22-18(11-8-14-4-1-2-12-20-14)24-16-9-6-15(7-10-16)21-19(23)17-5-3-13-25-17/h1-13H,(H,21,23)/b11-8+
InChIKeyPVNHQVFJAZHQRJ-DHZHZOJOSA-N
XLogP4.01
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(thiophene-2-carbonylamino)phenyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate
CID 36668662
N-(4-pyrimidin-2-yloxyphenyl)thiophene-2-carboxamide
CID 51173208
[4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate
CID 34734309
[4-(thiophene-2-carbonylamino)phenyl] (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate
CID 32981995
N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 55833588
[4-(thiophene-2-carbonylamino)phenyl] (E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoate
CID 38959218
[4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate
CID 30250811
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 5411250
[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate
CID 34736693
[4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate
CID 102603587
[4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate
CID 36666034

Frequently Asked Questions

What is the IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] (E)-3-pyridin-2-ylprop-2-enoate?
The IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] (E)-3-pyridin-2-ylprop-2-enoate (CID 87023750) is [4-(thiophene-2-carbonylamino)phenyl] (E)-3-pyridin-2-ylprop-2-enoate.
What is the SMILES notation for [4-(thiophene-2-carbonylamino)phenyl] (E)-3-pyridin-2-ylprop-2-enoate?
The canonical SMILES for [4-(thiophene-2-carbonylamino)phenyl] (E)-3-pyridin-2-ylprop-2-enoate is O=C(/C=C/c1ccccn1)Oc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of [4-(thiophene-2-carbonylamino)phenyl] (E)-3-pyridin-2-ylprop-2-enoate?
The InChIKey is PVNHQVFJAZHQRJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H14N2O3S/c22-18(11-8-14-4-1-2-12-20-14)24-16-9-6-15(7-10-16)21-19(23)17-5-3-13-25-17/h1-13H,(H,21,23)/b11-8+.
What are the key properties of [4-(thiophene-2-carbonylamino)phenyl] (E)-3-pyridin-2-ylprop-2-enoate?
[4-(thiophene-2-carbonylamino)phenyl] (E)-3-pyridin-2-ylprop-2-enoate has a molecular weight of 350.40 g/mol, XLogP of 4.01, 5 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] (E)-3-pyridin-2-ylprop-2-enoate is sourced from PubChem (CID 87023750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).