[4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate

C17H12N2O3S — CID 34734309

IUPAC[4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate
SMILESO=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccncc1
InChIInChI=1S/C17H12N2O3S/c20-16(15-2-1-11-23-15)19-13-3-5-14(6-4-13)22-17(21)12-7-9-18-10-8-12/h1-11H,(H,19,20)
InChIKeyRZDBTHPUPCFUMA-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.61
Rot. Bonds4

About [4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate

[4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate (PubChem CID 34734309) has the molecular formula C17H12N2O3S and a molecular weight of 324.36 g/mol. Its IUPAC name is [4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate
PubChem CID34734309
Molecular FormulaC17H12N2O3S
Molecular Weight324.36 g/mol
Exact Mass324.06
IUPAC Name[4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate
SMILESO=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccncc1
InChIInChI=1S/C17H12N2O3S/c20-16(15-2-1-11-23-15)19-13-3-5-14(6-4-13)22-17(21)12-7-9-18-10-8-12/h1-11H,(H,19,20)
InChIKeyRZDBTHPUPCFUMA-UHFFFAOYSA-N
XLogP3.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.61
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] 4-ethoxybenzoate
CID 34736693
[4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate
CID 30250811
[4-(thiophene-2-carbonylamino)phenyl] 4-(propan-2-ylsulfamoyl)benzoate
CID 35607726
[4-(thiophene-2-carbonylamino)phenyl] 3-(thiophen-2-ylsulfonylamino)benzoate
CID 55913986
[4-(thiophene-2-carbonylamino)phenyl] 2-amino-6-bromobenzoate
CID 166376273
N-(4-pyrimidin-2-yloxyphenyl)thiophene-2-carboxamide
CID 51173208
[4-(thiophene-2-carbonylamino)phenyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 34752632
[4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate
CID 1092077
[4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate
CID 19184736
[4-(thiophene-2-carbonylamino)phenyl] 4-(2-oxopiperidin-1-yl)benzoate
CID 32981938
N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 55833588
[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] pyridine-4-carboxylate?
The IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate (CID 34734309) is [4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate.
What is the SMILES notation for [4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate?
The canonical SMILES for [4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate is O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccncc1.
What is the InChIKey of [4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate?
The InChIKey is RZDBTHPUPCFUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3S/c20-16(15-2-1-11-23-15)19-13-3-5-14(6-4-13)22-17(21)12-7-9-18-10-8-12/h1-11H,(H,19,20).
What are the key properties of [4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate?
[4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate has a molecular weight of 324.36 g/mol, XLogP of 3.61, 4 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] pyridine-4-carboxylate is sourced from PubChem (CID 34734309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).