N-[3-(2-phenylmorpholin-4-yl)propyl]-2-thiophen-2-ylacetamide

C19H24N2O2S — CID 16892518

IUPACN-[3-(2-phenylmorpholin-4-yl)propyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCCN1CCOC(c2ccccc2)C1
InChIInChI=1S/C19H24N2O2S/c22-19(14-17-8-4-13-24-17)20-9-5-10-21-11-12-23-18(15-21)16-6-2-1-3-7-16/h1-4,6-8,13,18H,5,9-12,14-15H2,(H,20,22)
InChIKeyULHBTATZZGEBHF-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.87
Rot. Bonds7

About N-[3-(2-phenylmorpholin-4-yl)propyl]-2-thiophen-2-ylacetamide

N-[3-(2-phenylmorpholin-4-yl)propyl]-2-thiophen-2-ylacetamide (PubChem CID 16892518) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[3-(2-phenylmorpholin-4-yl)propyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(2-phenylmorpholin-4-yl)propyl]-2-thiophen-2-ylacetamide
PubChem CID16892518
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[3-(2-phenylmorpholin-4-yl)propyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCCN1CCOC(c2ccccc2)C1
InChIInChI=1S/C19H24N2O2S/c22-19(14-17-8-4-13-24-17)20-9-5-10-21-11-12-23-18(15-21)16-6-2-1-3-7-16/h1-4,6-8,13,18H,5,9-12,14-15H2,(H,20,22)
InChIKeyULHBTATZZGEBHF-UHFFFAOYSA-N
XLogP2.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylmorpholin-4-yl)propyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(2-phenylmorpholin-4-yl)propyl]-2-thiophen-2-ylacetamide (CID 16892518) is N-[3-(2-phenylmorpholin-4-yl)propyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(2-phenylmorpholin-4-yl)propyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(2-phenylmorpholin-4-yl)propyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCCN1CCOC(c2ccccc2)C1.
What is the InChIKey of N-[3-(2-phenylmorpholin-4-yl)propyl]-2-thiophen-2-ylacetamide?
The InChIKey is ULHBTATZZGEBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c22-19(14-17-8-4-13-24-17)20-9-5-10-21-11-12-23-18(15-21)16-6-2-1-3-7-16/h1-4,6-8,13,18H,5,9-12,14-15H2,(H,20,22).
What are the key properties of N-[3-(2-phenylmorpholin-4-yl)propyl]-2-thiophen-2-ylacetamide?
N-[3-(2-phenylmorpholin-4-yl)propyl]-2-thiophen-2-ylacetamide has a molecular weight of 344.48 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylmorpholin-4-yl)propyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 16892518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).