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

C18H30N2O6S — CID 134416223

IUPACN-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-5-methylsulfanylpentanamide
SMILESCSCCCCC(=O)NCCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C18H30N2O6S/c1-27-15-3-2-4-16(21)19-7-9-24-11-13-26-14-12-25-10-8-20-17(22)5-6-18(20)23/h5-6H,2-4,7-15H2,1H3,(H,19,21)
InChIKeyOOSBZFLZQADUOG-UHFFFAOYSA-N
MW402.51 g/mol
LogP0.61
Rot. Bonds17

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

N-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-5-methylsulfanylpentanamide (PubChem CID 134416223) has the molecular formula C18H30N2O6S and a molecular weight of 402.51 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-5-methylsulfanylpentanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-5-methylsulfanylpentanamide
PubChem CID134416223
Molecular FormulaC18H30N2O6S
Molecular Weight402.51 g/mol
Exact Mass402.18
IUPAC NameN-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-5-methylsulfanylpentanamide
SMILESCSCCCCC(=O)NCCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C18H30N2O6S/c1-27-15-3-2-4-16(21)19-7-9-24-11-13-26-14-12-25-10-8-20-17(22)5-6-18(20)23/h5-6H,2-4,7-15H2,1H3,(H,19,21)
InChIKeyOOSBZFLZQADUOG-UHFFFAOYSA-N
XLogP0.61
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-5-methylsulfanylpentanamide 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

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
6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 171850558
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 158577719
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 51341049
N-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-3-sulfanylpropanamide
CID 146614306
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
6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2-hydroxyethoxy]ethoxy]ethyl]hexanamide
CID 11376281
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
3-[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]propoxy]propanoic acid
CID 168749936
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-oxo-3-(2-oxoethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 166809263

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-5-methylsulfanylpentanamide?
The IUPAC name of N-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-5-methylsulfanylpentanamide (CID 134416223) is N-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-5-methylsulfanylpentanamide.
What is the SMILES notation for N-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-5-methylsulfanylpentanamide?
The canonical SMILES for N-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-5-methylsulfanylpentanamide is CSCCCCC(=O)NCCOCCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-5-methylsulfanylpentanamide?
The InChIKey is OOSBZFLZQADUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O6S/c1-27-15-3-2-4-16(21)19-7-9-24-11-13-26-14-12-25-10-8-20-17(22)5-6-18(20)23/h5-6H,2-4,7-15H2,1H3,(H,19,21).
What are the key properties of N-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-5-methylsulfanylpentanamide?
N-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-5-methylsulfanylpentanamide has a molecular weight of 402.51 g/mol, XLogP of 0.61, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-5-methylsulfanylpentanamide is sourced from PubChem (CID 134416223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).