[4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate

C19H16N2O3S — CID 36666034

IUPAC[4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate
SMILESO=C(CCc1cccnc1)Oc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H16N2O3S/c22-18(10-5-14-3-1-11-20-13-14)24-16-8-6-15(7-9-16)21-19(23)17-4-2-12-25-17/h1-4,6-9,11-13H,5,10H2,(H,21,23)
InChIKeyBFHDQDWWXBSWKS-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.93
Rot. Bonds6

About [4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate

[4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate (PubChem CID 36666034) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is [4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Name[4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate
PubChem CID36666034
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name[4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate
SMILESO=C(CCc1cccnc1)Oc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H16N2O3S/c22-18(10-5-14-3-1-11-20-13-14)24-16-8-6-15(7-9-16)21-19(23)17-4-2-12-25-17/h1-4,6-9,11-13H,5,10H2,(H,21,23)
InChIKeyBFHDQDWWXBSWKS-UHFFFAOYSA-N
XLogP3.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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-phenylmethoxyacetate
CID 102603587
[4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate
CID 34734309
[4-(thiophene-2-carbonylamino)phenyl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 35625078
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113027751
N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9324552
[4-(thiophene-2-carbonylamino)phenyl] 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 30257558
N-(4-pyrimidin-2-yloxyphenyl)thiophene-2-carboxamide
CID 51173208
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
[4-(thiophene-2-carbonylamino)phenyl] 2-(2,4-dimethoxyphenyl)acetate
CID 39768822

Frequently Asked Questions

What is the IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate?
The IUPAC name of [4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate (CID 36666034) is [4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate.
What is the SMILES notation for [4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate?
The canonical SMILES for [4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate is O=C(CCc1cccnc1)Oc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of [4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate?
The InChIKey is BFHDQDWWXBSWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c22-18(10-5-14-3-1-11-20-13-14)24-16-8-6-15(7-9-16)21-19(23)17-4-2-12-25-17/h1-4,6-9,11-13H,5,10H2,(H,21,23).
What are the key properties of [4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate?
[4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate has a molecular weight of 352.42 g/mol, XLogP of 3.93, 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] 3-pyridin-3-ylpropanoate is sourced from PubChem (CID 36666034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).