5-[(Z)-2,3-diphenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C23H20N2O3S — CID 88923075

IUPAC5-[(Z)-2,3-diphenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESO=C(NO)c1cc2c(s1)CCN(C(=O)/C(=C\c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C23H20N2O3S/c26-22(24-28)21-14-18-15-25(12-11-20(18)29-21)23(27)19(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-10,13-14,28H,11-12,15H2,(H,24,26)/b19-13-
InChIKeyPXNLSAPMHXDGCD-UYRXBGFRSA-N
MW404.49 g/mol
LogP3.99
Rot. Bonds4

About 5-[(Z)-2,3-diphenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

5-[(Z)-2,3-diphenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 88923075) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is 5-[(Z)-2,3-diphenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(Z)-2,3-diphenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID88923075
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name5-[(Z)-2,3-diphenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESO=C(NO)c1cc2c(s1)CCN(C(=O)/C(=C\c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C23H20N2O3S/c26-22(24-28)21-14-18-15-25(12-11-20(18)29-21)23(27)19(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-10,13-14,28H,11-12,15H2,(H,24,26)/b19-13-
InChIKeyPXNLSAPMHXDGCD-UYRXBGFRSA-N
XLogP3.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 5-[(Z)-2,3-diphenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2,3-diphenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-[(Z)-2,3-diphenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 88923075) is 5-[(Z)-2,3-diphenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(Z)-2,3-diphenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-[(Z)-2,3-diphenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is O=C(NO)c1cc2c(s1)CCN(C(=O)/C(=C\c1ccccc1)c1ccccc1)C2.
What is the InChIKey of 5-[(Z)-2,3-diphenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is PXNLSAPMHXDGCD-UYRXBGFRSA-N. The full InChI is InChI=1S/C23H20N2O3S/c26-22(24-28)21-14-18-15-25(12-11-20(18)29-21)23(27)19(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-10,13-14,28H,11-12,15H2,(H,24,26)/b19-13-.
What are the key properties of 5-[(Z)-2,3-diphenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-[(Z)-2,3-diphenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2,3-diphenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 88923075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).