N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide

C19H23N3O2S — CID 16891579

IUPACN-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCCc1ccc(N2CCCC2)cc1)C(=O)NCc1cccs1
InChIInChI=1S/C19H23N3O2S/c23-18(19(24)21-14-17-4-3-13-25-17)20-10-9-15-5-7-16(8-6-15)22-11-1-2-12-22/h3-8,13H,1-2,9-12,14H2,(H,20,23)(H,21,24)
InChIKeyDGOYHJUDTNUOPY-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.32
Rot. Bonds6

About N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide

N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide (PubChem CID 16891579) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
PubChem CID16891579
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCCc1ccc(N2CCCC2)cc1)C(=O)NCc1cccs1
InChIInChI=1S/C19H23N3O2S/c23-18(19(24)21-14-17-4-3-13-25-17)20-10-9-15-5-7-16(8-6-15)22-11-1-2-12-22/h3-8,13H,1-2,9-12,14H2,(H,20,23)(H,21,24)
InChIKeyDGOYHJUDTNUOPY-UHFFFAOYSA-N
XLogP2.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide 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-(4-pyrrolidin-1-ylphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide (CID 16891579) is N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide is O=C(NCCc1ccc(N2CCCC2)cc1)C(=O)NCc1cccs1.
What is the InChIKey of N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide?
The InChIKey is DGOYHJUDTNUOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-18(19(24)21-14-17-4-3-13-25-17)20-10-9-15-5-7-16(8-6-15)22-11-1-2-12-22/h3-8,13H,1-2,9-12,14H2,(H,20,23)(H,21,24).
What are the key properties of N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide?
N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide has a molecular weight of 357.48 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 16891579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).