N-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide

C15H30N2O7S — CID 23187016

IUPACN-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide
SMILESNC(=O)COCCOCCOCCOCCOCCNC(=O)CCS
InChIInChI=1S/C15H30N2O7S/c16-14(18)13-24-11-10-23-9-8-22-7-6-21-5-4-20-3-2-17-15(19)1-12-25/h25H,1-13H2,(H2,16,18)(H,17,19)
InChIKeyNTDXUDXDWROZIL-UHFFFAOYSA-N
MW382.48 g/mol
LogP-1.01
Rot. Bonds19

About N-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide

N-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide (PubChem CID 23187016) has the molecular formula C15H30N2O7S and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide
PubChem CID23187016
Molecular FormulaC15H30N2O7S
Molecular Weight382.48 g/mol
Exact Mass382.18
IUPAC NameN-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide
SMILESNC(=O)COCCOCCOCCOCCOCCNC(=O)CCS
InChIInChI=1S/C15H30N2O7S/c16-14(18)13-24-11-10-23-9-8-22-7-6-21-5-4-20-3-2-17-15(19)1-12-25/h25H,1-13H2,(H2,16,18)(H,17,19)
InChIKeyNTDXUDXDWROZIL-UHFFFAOYSA-N
XLogP-1.01
TPSA118.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide?
The IUPAC name of N-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide (CID 23187016) is N-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide is NC(=O)COCCOCCOCCOCCOCCNC(=O)CCS.
What is the InChIKey of N-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide?
The InChIKey is NTDXUDXDWROZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O7S/c16-14(18)13-24-11-10-23-9-8-22-7-6-21-5-4-20-3-2-17-15(19)1-12-25/h25H,1-13H2,(H2,16,18)(H,17,19).
What are the key properties of N-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide?
N-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide has a molecular weight of 382.48 g/mol, XLogP of -1.01, 19 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 23187016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).