N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide

C11H16N2O4S — CID 146614306

IUPACN-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide
SMILESO=C(CCS)NCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O4S/c14-9(3-8-18)12-4-6-17-7-5-13-10(15)1-2-11(13)16/h1-2,18H,3-8H2,(H,12,14)
InChIKeyUCTZPNFEBYQCFA-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.64
Rot. Bonds8

About N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide

N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide (PubChem CID 146614306) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide
PubChem CID146614306
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC NameN-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide
SMILESO=C(CCS)NCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O4S/c14-9(3-8-18)12-4-6-17-7-5-13-10(15)1-2-11(13)16/h1-2,18H,3-8H2,(H,12,14)
InChIKeyUCTZPNFEBYQCFA-UHFFFAOYSA-N
XLogP-0.64
TPSA75.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 51341049
3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propyl]propanamide
CID 170280660
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propanamide
CID 71242767
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 135174898
N-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-5-methylsulfanylpentanamide
CID 134416223
2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethyl hydrogen carbonate
CID 134600059
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]propanamide
CID 58701502
6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 166090102
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide;ethane
CID 156743442
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2,2-bis[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]methyl]-2-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 155906844
3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-pentylpropanamide
CID 121327567
N-[2-(2-azidoethoxy)ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide
CID 156598819

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide?
The IUPAC name of N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide (CID 146614306) is N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide is O=C(CCS)NCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide?
The InChIKey is UCTZPNFEBYQCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c14-9(3-8-18)12-4-6-17-7-5-13-10(15)1-2-11(13)16/h1-2,18H,3-8H2,(H,12,14).
What are the key properties of N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide?
N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide has a molecular weight of 272.33 g/mol, XLogP of -0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 146614306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).