2-(2-hydroxyethylsulfanyl)-N-[5-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]pentyl]acetamide

C13H26N2O4S2 — CID 20756417

IUPAC2-(2-hydroxyethylsulfanyl)-N-[5-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]pentyl]acetamide
SMILESO=C(CSCCO)NCCCCCNC(=O)CSCCO
InChIInChI=1S/C13H26N2O4S2/c16-6-8-20-10-12(18)14-4-2-1-3-5-15-13(19)11-21-9-7-17/h16-17H,1-11H2,(H,14,18)(H,15,19)
InChIKeyIQRZVTZOEZAKHX-UHFFFAOYSA-N
MW338.50 g/mol
LogP-0.16
Rot. Bonds14

About 2-(2-hydroxyethylsulfanyl)-N-[5-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]pentyl]acetamide

2-(2-hydroxyethylsulfanyl)-N-[5-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]pentyl]acetamide (PubChem CID 20756417) has the molecular formula C13H26N2O4S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)-N-[5-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]pentyl]acetamide.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)-N-[5-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]pentyl]acetamide
PubChem CID20756417
Molecular FormulaC13H26N2O4S2
Molecular Weight338.50 g/mol
Exact Mass338.13
IUPAC Name2-(2-hydroxyethylsulfanyl)-N-[5-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]pentyl]acetamide
SMILESO=C(CSCCO)NCCCCCNC(=O)CSCCO
InChIInChI=1S/C13H26N2O4S2/c16-6-8-20-10-12(18)14-4-2-1-3-5-15-13(19)11-21-9-7-17/h16-17H,1-11H2,(H,14,18)(H,15,19)
InChIKeyIQRZVTZOEZAKHX-UHFFFAOYSA-N
XLogP-0.16
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(5-Aminopentylamino)-2-oxoethyl]sulfanylacetic acid
CID 134863036
N-[3-(2-hydroxyethylsulfanyl)propyl]pentanamide
CID 15123543
N-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]sulfanylacetamide
CID 15267296
2-amino-N-[6-(2-hydroxyethylsulfanyl)hexyl]acetamide;hydrochloride
CID 20261865
2-amino-N-[6-(2-hydroxyethylsulfanyl)hexyl]acetamide
CID 20261866
N-(2-hydroxyethyl)-3-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylpropanamide
CID 20558492
thioacetic acid S-[(5-amino-pentylcarbamoyl)-methyl] ester
CID 58608933
N-(2-hydroxyethyl)-3-[3-(2-hydroxyethylamino)-3-oxo-2-sulfanylpropyl]sulfanyl-2-sulfanylpropanamide
CID 86068370
N-(3-hydroxypropyl)-2-[[2-(3-hydroxypropylamino)-2-oxoethyl]disulfanyl]acetamide
CID 87700654
N-[4-(5-acetamido-1-hydroxypentan-2-yl)sulfanyl-5-hydroxypentyl]acetamide
CID 88448652
N-[5-(2-hydroxyethylsulfonyl)pentyl]acetamide
CID 88728496
6-(2-hydroxyethylsulfanylcarbonylamino)hexylcarbamothioic S-acid
CID 89007980

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-[5-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]pentyl]acetamide?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-[5-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]pentyl]acetamide (CID 20756417) is 2-(2-hydroxyethylsulfanyl)-N-[5-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]pentyl]acetamide.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)-N-[5-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]pentyl]acetamide?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)-N-[5-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]pentyl]acetamide is O=C(CSCCO)NCCCCCNC(=O)CSCCO.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)-N-[5-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]pentyl]acetamide?
The InChIKey is IQRZVTZOEZAKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S2/c16-6-8-20-10-12(18)14-4-2-1-3-5-15-13(19)11-21-9-7-17/h16-17H,1-11H2,(H,14,18)(H,15,19).
What are the key properties of 2-(2-hydroxyethylsulfanyl)-N-[5-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]pentyl]acetamide?
2-(2-hydroxyethylsulfanyl)-N-[5-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]pentyl]acetamide has a molecular weight of 338.50 g/mol, XLogP of -0.16, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)-N-[5-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]pentyl]acetamide is sourced from PubChem (CID 20756417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).