N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide

C13H20N2O2S — CID 2998106

IUPACN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
SMILESCCC(=O)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C13H20N2O2S/c1-2-13(16)14-10-11(12-4-3-9-18-12)15-5-7-17-8-6-15/h3-4,9,11H,2,5-8,10H2,1H3,(H,14,16)
InChIKeyKYGQYMOQVAXVAL-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.65
Rot. Bonds5

About N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide (PubChem CID 2998106) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
PubChem CID2998106
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
SMILESCCC(=O)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C13H20N2O2S/c1-2-13(16)14-10-11(12-4-3-9-18-12)15-5-7-17-8-6-15/h3-4,9,11H,2,5-8,10H2,1H3,(H,14,16)
InChIKeyKYGQYMOQVAXVAL-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
The IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide (CID 2998106) is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide is CCC(=O)NCC(c1cccs1)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
The InChIKey is KYGQYMOQVAXVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-13(16)14-10-11(12-4-3-9-18-12)15-5-7-17-8-6-15/h3-4,9,11H,2,5-8,10H2,1H3,(H,14,16).
What are the key properties of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide has a molecular weight of 268.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 2998106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).