N-[3-(2-phenylmorpholin-4-yl)propyl]-N'-(thiophen-2-ylmethyl)oxamide

C20H25N3O3S — CID 16893048

IUPACN-[3-(2-phenylmorpholin-4-yl)propyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCCCN1CCOC(c2ccccc2)C1)C(=O)NCc1cccs1
InChIInChI=1S/C20H25N3O3S/c24-19(20(25)22-14-17-8-4-13-27-17)21-9-5-10-23-11-12-26-18(15-23)16-6-2-1-3-7-16/h1-4,6-8,13,18H,5,9-12,14-15H2,(H,21,24)(H,22,25)
InChIKeyJDCKFCOFJGOEOR-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.94
Rot. Bonds7

About N-[3-(2-phenylmorpholin-4-yl)propyl]-N'-(thiophen-2-ylmethyl)oxamide

N-[3-(2-phenylmorpholin-4-yl)propyl]-N'-(thiophen-2-ylmethyl)oxamide (PubChem CID 16893048) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[3-(2-phenylmorpholin-4-yl)propyl]-N'-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[3-(2-phenylmorpholin-4-yl)propyl]-N'-(thiophen-2-ylmethyl)oxamide
PubChem CID16893048
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[3-(2-phenylmorpholin-4-yl)propyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCCCN1CCOC(c2ccccc2)C1)C(=O)NCc1cccs1
InChIInChI=1S/C20H25N3O3S/c24-19(20(25)22-14-17-8-4-13-27-17)21-9-5-10-23-11-12-26-18(15-23)16-6-2-1-3-7-16/h1-4,6-8,13,18H,5,9-12,14-15H2,(H,21,24)(H,22,25)
InChIKeyJDCKFCOFJGOEOR-UHFFFAOYSA-N
XLogP1.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(2-phenylmorpholin-4-yl)propyl]-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-[3-(2-phenylmorpholin-4-yl)propyl]-N'-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N-[3-(2-phenylmorpholin-4-yl)propyl]-N'-(thiophen-2-ylmethyl)oxamide (CID 16893048) is N-[3-(2-phenylmorpholin-4-yl)propyl]-N'-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N-[3-(2-phenylmorpholin-4-yl)propyl]-N'-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N-[3-(2-phenylmorpholin-4-yl)propyl]-N'-(thiophen-2-ylmethyl)oxamide is O=C(NCCCN1CCOC(c2ccccc2)C1)C(=O)NCc1cccs1.
What is the InChIKey of N-[3-(2-phenylmorpholin-4-yl)propyl]-N'-(thiophen-2-ylmethyl)oxamide?
The InChIKey is JDCKFCOFJGOEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-19(20(25)22-14-17-8-4-13-27-17)21-9-5-10-23-11-12-26-18(15-23)16-6-2-1-3-7-16/h1-4,6-8,13,18H,5,9-12,14-15H2,(H,21,24)(H,22,25).
What are the key properties of N-[3-(2-phenylmorpholin-4-yl)propyl]-N'-(thiophen-2-ylmethyl)oxamide?
N-[3-(2-phenylmorpholin-4-yl)propyl]-N'-(thiophen-2-ylmethyl)oxamide has a molecular weight of 387.51 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylmorpholin-4-yl)propyl]-N'-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 16893048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).