2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide

C8H16N2O4S — CID 43392468

IUPAC2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CSCCO
InChIInChI=1S/C8H16N2O4S/c1-14-4-2-9-8(13)10-7(12)6-15-5-3-11/h11H,2-6H2,1H3,(H2,9,10,12,13)
InChIKeyUTCFIOAWUPCTPC-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.82
Rot. Bonds7

About 2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide

2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 43392468) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID43392468
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CSCCO
InChIInChI=1S/C8H16N2O4S/c1-14-4-2-9-8(13)10-7(12)6-15-5-3-11/h11H,2-6H2,1H3,(H2,9,10,12,13)
InChIKeyUTCFIOAWUPCTPC-UHFFFAOYSA-N
XLogP-0.82
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 43237259
2-(3-hydroxypropylsulfanyl)-N-(propylcarbamoyl)acetamide
CID 66116132
2-(3-hydroxybutan-2-ylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 103705609
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 60686668
2-(2-cyanoethylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 82181436
3-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]sulfanylbutanoic acid
CID 66138241
N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 29318007
2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 7995383
N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2651102
2-[ethyl(2-hydroxyethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 31994044
2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 82180848
tert-butyl N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylethyl]carbamate
CID 84558140

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide (CID 43392468) is 2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CSCCO.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is UTCFIOAWUPCTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-14-4-2-9-8(13)10-7(12)6-15-5-3-11/h11H,2-6H2,1H3,(H2,9,10,12,13).
What are the key properties of 2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide?
2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 236.29 g/mol, XLogP of -0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 43392468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).