2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-(5-hydroxy-9,10-dioxoanthracen-1-yl)sulfanylcarbamate

C23H26N2O8S — CID 177204557

IUPAC2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-(5-hydroxy-9,10-dioxoanthracen-1-yl)sulfanylcarbamate
SMILESNCCOCCOCCOCCOC(=O)NSc1cccc2c1C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/C23H26N2O8S/c24-7-8-30-9-10-31-11-12-32-13-14-33-23(29)25-34-18-6-2-4-16-20(18)22(28)15-3-1-5-17(26)19(15)21(16)27/h1-6,26H,7-14,24H2,(H,25,29)
InChIKeyLHSUURRPYQENIW-UHFFFAOYSA-N
MW490.53 g/mol
LogP1.91
Rot. Bonds13

About 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-(5-hydroxy-9,10-dioxoanthracen-1-yl)sulfanylcarbamate

2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-(5-hydroxy-9,10-dioxoanthracen-1-yl)sulfanylcarbamate (PubChem CID 177204557) has the molecular formula C23H26N2O8S and a molecular weight of 490.53 g/mol. Its IUPAC name is 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-(5-hydroxy-9,10-dioxoanthracen-1-yl)sulfanylcarbamate.

Molecular Properties

Compound Name2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-(5-hydroxy-9,10-dioxoanthracen-1-yl)sulfanylcarbamate
PubChem CID177204557
Molecular FormulaC23H26N2O8S
Molecular Weight490.53 g/mol
Exact Mass490.14
IUPAC Name2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-(5-hydroxy-9,10-dioxoanthracen-1-yl)sulfanylcarbamate
SMILESNCCOCCOCCOCCOC(=O)NSc1cccc2c1C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/C23H26N2O8S/c24-7-8-30-9-10-31-11-12-32-13-14-33-23(29)25-34-18-6-2-4-16-20(18)22(28)15-3-1-5-17(26)19(15)21(16)27/h1-6,26H,7-14,24H2,(H,25,29)
InChIKeyLHSUURRPYQENIW-UHFFFAOYSA-N
XLogP1.91
TPSA146.41 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-(5-hydroxy-9,10-dioxoanthracen-1-yl)sulfanylcarbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-(5-hydroxy-9,10-dioxoanthracen-1-yl)sulfanylcarbamate?
The IUPAC name of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-(5-hydroxy-9,10-dioxoanthracen-1-yl)sulfanylcarbamate (CID 177204557) is 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-(5-hydroxy-9,10-dioxoanthracen-1-yl)sulfanylcarbamate.
What is the SMILES notation for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-(5-hydroxy-9,10-dioxoanthracen-1-yl)sulfanylcarbamate?
The canonical SMILES for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-(5-hydroxy-9,10-dioxoanthracen-1-yl)sulfanylcarbamate is NCCOCCOCCOCCOC(=O)NSc1cccc2c1C(=O)c1cccc(O)c1C2=O.
What is the InChIKey of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-(5-hydroxy-9,10-dioxoanthracen-1-yl)sulfanylcarbamate?
The InChIKey is LHSUURRPYQENIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O8S/c24-7-8-30-9-10-31-11-12-32-13-14-33-23(29)25-34-18-6-2-4-16-20(18)22(28)15-3-1-5-17(26)19(15)21(16)27/h1-6,26H,7-14,24H2,(H,25,29).
What are the key properties of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-(5-hydroxy-9,10-dioxoanthracen-1-yl)sulfanylcarbamate?
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-(5-hydroxy-9,10-dioxoanthracen-1-yl)sulfanylcarbamate has a molecular weight of 490.53 g/mol, XLogP of 1.91, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-(5-hydroxy-9,10-dioxoanthracen-1-yl)sulfanylcarbamate is sourced from PubChem (CID 177204557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).