N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C24H21N3O3S — CID 43813430

IUPACN-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)C(c1cccs1)N(Cc1ccco1)C(=O)c1ccccn1
InChIInChI=1S/C24H21N3O3S/c28-23(26-16-18-8-2-1-3-9-18)22(21-12-7-15-31-21)27(17-19-10-6-14-30-19)24(29)20-11-4-5-13-25-20/h1-15,22H,16-17H2,(H,26,28)
InChIKeyUKFWYKOYSAGMHC-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.44
Rot. Bonds8

About N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 43813430) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID43813430
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC NameN-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)C(c1cccs1)N(Cc1ccco1)C(=O)c1ccccn1
InChIInChI=1S/C24H21N3O3S/c28-23(26-16-18-8-2-1-3-9-18)22(21-12-7-15-31-21)27(17-19-10-6-14-30-19)24(29)20-11-4-5-13-25-20/h1-15,22H,16-17H2,(H,26,28)
InChIKeyUKFWYKOYSAGMHC-UHFFFAOYSA-N
XLogP4.44
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)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 N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 43813430) is N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccccc1)C(c1cccs1)N(Cc1ccco1)C(=O)c1ccccn1.
What is the InChIKey of N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is UKFWYKOYSAGMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c28-23(26-16-18-8-2-1-3-9-18)22(21-12-7-15-31-21)27(17-19-10-6-14-30-19)24(29)20-11-4-5-13-25-20/h1-15,22H,16-17H2,(H,26,28).
What are the key properties of N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 43813430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).