N-(3-morpholin-4-ylpropyl)-4-thiophen-2-yloxane-4-carboxamide

C17H26N2O3S — CID 7243525

IUPACN-(3-morpholin-4-ylpropyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1(c2cccs2)CCOCC1
InChIInChI=1S/C17H26N2O3S/c20-16(18-6-2-7-19-8-12-22-13-9-19)17(4-10-21-11-5-17)15-3-1-14-23-15/h1,3,14H,2,4-13H2,(H,18,20)
InChIKeyDRCLMSSTHSSNOJ-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.63
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-4-thiophen-2-yloxane-4-carboxamide

N-(3-morpholin-4-ylpropyl)-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 7243525) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-thiophen-2-yloxane-4-carboxamide
PubChem CID7243525
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-thiophen-2-yloxane-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1(c2cccs2)CCOCC1
InChIInChI=1S/C17H26N2O3S/c20-16(18-6-2-7-19-8-12-22-13-9-19)17(4-10-21-11-5-17)15-3-1-14-23-15/h1,3,14H,2,4-13H2,(H,18,20)
InChIKeyDRCLMSSTHSSNOJ-UHFFFAOYSA-N
XLogP1.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-morpholin-4-ylpropyl)-4-thiophen-2-yloxane-4-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-(3-morpholin-4-ylpropyl)-4-thiophen-2-yloxane-4-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-thiophen-2-yloxane-4-carboxamide (CID 7243525) is N-(3-morpholin-4-ylpropyl)-4-thiophen-2-yloxane-4-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-thiophen-2-yloxane-4-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-thiophen-2-yloxane-4-carboxamide is O=C(NCCCN1CCOCC1)C1(c2cccs2)CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-thiophen-2-yloxane-4-carboxamide?
The InChIKey is DRCLMSSTHSSNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c20-16(18-6-2-7-19-8-12-22-13-9-19)17(4-10-21-11-5-17)15-3-1-14-23-15/h1,3,14H,2,4-13H2,(H,18,20).
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-thiophen-2-yloxane-4-carboxamide?
N-(3-morpholin-4-ylpropyl)-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 7243525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).