[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoyl]phenyl] thiohypochlorite

C15H23ClN2O4S — CID 144680353

IUPAC[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoyl]phenyl] thiohypochlorite
SMILESNCCOCCOCCOCCNC(=O)c1ccc(SCl)cc1
InChIInChI=1S/C15H23ClN2O4S/c16-23-14-3-1-13(2-4-14)15(19)18-6-8-21-10-12-22-11-9-20-7-5-17/h1-4H,5-12,17H2,(H,18,19)
InChIKeyZEUDXCDNZOIGTE-UHFFFAOYSA-N
MW362.88 g/mol
LogP1.67
Rot. Bonds13

About [4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoyl]phenyl] thiohypochlorite

[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoyl]phenyl] thiohypochlorite (PubChem CID 144680353) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is [4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoyl]phenyl] thiohypochlorite.

Molecular Properties

Compound Name[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoyl]phenyl] thiohypochlorite
PubChem CID144680353
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC Name[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoyl]phenyl] thiohypochlorite
SMILESNCCOCCOCCOCCNC(=O)c1ccc(SCl)cc1
InChIInChI=1S/C15H23ClN2O4S/c16-23-14-3-1-13(2-4-14)15(19)18-6-8-21-10-12-22-11-9-20-7-5-17/h1-4H,5-12,17H2,(H,18,19)
InChIKeyZEUDXCDNZOIGTE-UHFFFAOYSA-N
XLogP1.67
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-azidobenzamide
CID 14697250
N-[2-(2-aminoethoxy)ethyl]-4-methylsulfonylbenzamide
CID 63753546
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
CID 82354283
N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
CID 63755737
tert-butyl N-[2-[2-[2-[(4-aminobenzoyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 102393692
N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide
CID 63754284
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide
CID 126723293
N-[2-[2-[2-[(2-aminoacetyl)amino]ethoxy]ethoxy]ethyl]-4-sulfamoylbenzamide
CID 2150
4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 61251180
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
CID 114345378

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoyl]phenyl] thiohypochlorite?
The IUPAC name of [4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoyl]phenyl] thiohypochlorite (CID 144680353) is [4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoyl]phenyl] thiohypochlorite.
What is the SMILES notation for [4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoyl]phenyl] thiohypochlorite?
The canonical SMILES for [4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoyl]phenyl] thiohypochlorite is NCCOCCOCCOCCNC(=O)c1ccc(SCl)cc1.
What is the InChIKey of [4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoyl]phenyl] thiohypochlorite?
The InChIKey is ZEUDXCDNZOIGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O4S/c16-23-14-3-1-13(2-4-14)15(19)18-6-8-21-10-12-22-11-9-20-7-5-17/h1-4H,5-12,17H2,(H,18,19).
What are the key properties of [4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoyl]phenyl] thiohypochlorite?
[4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoyl]phenyl] thiohypochlorite has a molecular weight of 362.88 g/mol, XLogP of 1.67, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylcarbamoyl]phenyl] thiohypochlorite is sourced from PubChem (CID 144680353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).