2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-thiophen-3-ylpropanamide

C11H18N2O3S — CID 162716852

IUPAC2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-thiophen-3-ylpropanamide
SMILESNC(Cc1ccsc1)C(=O)NCCOCCO
InChIInChI=1S/C11H18N2O3S/c12-10(7-9-1-6-17-8-9)11(15)13-2-4-16-5-3-14/h1,6,8,10,14H,2-5,7,12H2,(H,13,15)
InChIKeyUDRZQKSSEXKACJ-UHFFFAOYSA-N
MW258.34 g/mol
LogP-0.26
Rot. Bonds8

About 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-thiophen-3-ylpropanamide

2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-thiophen-3-ylpropanamide (PubChem CID 162716852) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-thiophen-3-ylpropanamide
PubChem CID162716852
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-thiophen-3-ylpropanamide
SMILESNC(Cc1ccsc1)C(=O)NCCOCCO
InChIInChI=1S/C11H18N2O3S/c12-10(7-9-1-6-17-8-9)11(15)13-2-4-16-5-3-14/h1,6,8,10,14H,2-5,7,12H2,(H,13,15)
InChIKeyUDRZQKSSEXKACJ-UHFFFAOYSA-N
XLogP-0.26
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-thiophen-3-ylpropanamide (CID 162716852) is 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-thiophen-3-ylpropanamide is NC(Cc1ccsc1)C(=O)NCCOCCO.
What is the InChIKey of 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-thiophen-3-ylpropanamide?
The InChIKey is UDRZQKSSEXKACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c12-10(7-9-1-6-17-8-9)11(15)13-2-4-16-5-3-14/h1,6,8,10,14H,2-5,7,12H2,(H,13,15).
What are the key properties of 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-thiophen-3-ylpropanamide?
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-thiophen-3-ylpropanamide has a molecular weight of 258.34 g/mol, XLogP of -0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 162716852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).