[4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate

C17H11ClN2O3S — CID 30250811

IUPAC[4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate
SMILESO=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C17H11ClN2O3S/c18-15-8-3-11(10-19-15)17(22)23-13-6-4-12(5-7-13)20-16(21)14-2-1-9-24-14/h1-10H,(H,20,21)
InChIKeySCPZRXYGXQGVJV-UHFFFAOYSA-N
MW358.81 g/mol
LogP4.27
Rot. Bonds4

About [4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate

[4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate (PubChem CID 30250811) has the molecular formula C17H11ClN2O3S and a molecular weight of 358.81 g/mol. Its IUPAC name is [4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate
PubChem CID30250811
Molecular FormulaC17H11ClN2O3S
Molecular Weight358.81 g/mol
Exact Mass358.02
IUPAC Name[4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate
SMILESO=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C17H11ClN2O3S/c18-15-8-3-11(10-19-15)17(22)23-13-6-4-12(5-7-13)20-16(21)14-2-1-9-24-14/h1-10H,(H,20,21)
InChIKeySCPZRXYGXQGVJV-UHFFFAOYSA-N
XLogP4.27
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate
CID 34734309
[4-(thiophene-2-carbonylamino)phenyl] 4-ethoxybenzoate
CID 34736693
[4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate
CID 19184736
6-chloro-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide
CID 9479307
[4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate
CID 1092077
[4-(thiophene-2-carbonylamino)phenyl] 4-(propan-2-ylsulfamoyl)benzoate
CID 35607726
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 55833588
[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] 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 34806518

Frequently Asked Questions

What is the IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate?
The IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate (CID 30250811) is [4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate.
What is the SMILES notation for [4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate?
The canonical SMILES for [4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate is O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccc(Cl)nc1.
What is the InChIKey of [4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate?
The InChIKey is SCPZRXYGXQGVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O3S/c18-15-8-3-11(10-19-15)17(22)23-13-6-4-12(5-7-13)20-16(21)14-2-1-9-24-14/h1-10H,(H,20,21).
What are the key properties of [4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate?
[4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate has a molecular weight of 358.81 g/mol, XLogP of 4.27, 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] 6-chloropyridine-3-carboxylate is sourced from PubChem (CID 30250811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).