2-hydroxy-N-[2-(2-hydroxyethyldisulfanyl)ethylcarbamoyl]benzamide

C12H16N2O4S2 — CID 88987524

IUPAC2-hydroxy-N-[2-(2-hydroxyethyldisulfanyl)ethylcarbamoyl]benzamide
SMILESO=C(NCCSSCCO)NC(=O)c1ccccc1O
InChIInChI=1S/C12H16N2O4S2/c15-6-8-20-19-7-5-13-12(18)14-11(17)9-3-1-2-4-10(9)16/h1-4,15-16H,5-8H2,(H2,13,14,17,18)
InChIKeySLPQFHMTARUCEF-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.21
Rot. Bonds7

About 2-hydroxy-N-[2-(2-hydroxyethyldisulfanyl)ethylcarbamoyl]benzamide

2-hydroxy-N-[2-(2-hydroxyethyldisulfanyl)ethylcarbamoyl]benzamide (PubChem CID 88987524) has the molecular formula C12H16N2O4S2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(2-hydroxyethyldisulfanyl)ethylcarbamoyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(2-hydroxyethyldisulfanyl)ethylcarbamoyl]benzamide
PubChem CID88987524
Molecular FormulaC12H16N2O4S2
Molecular Weight316.40 g/mol
Exact Mass316.06
IUPAC Name2-hydroxy-N-[2-(2-hydroxyethyldisulfanyl)ethylcarbamoyl]benzamide
SMILESO=C(NCCSSCCO)NC(=O)c1ccccc1O
InChIInChI=1S/C12H16N2O4S2/c15-6-8-20-19-7-5-13-12(18)14-11(17)9-3-1-2-4-10(9)16/h1-4,15-16H,5-8H2,(H2,13,14,17,18)
InChIKeySLPQFHMTARUCEF-UHFFFAOYSA-N
XLogP1.21
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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ethyl N-(2-hydroxybenzoyl)carbamate
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2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
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N-[(3-ethoxyphenyl)methylcarbamoyl]-2-hydroxybenzamide
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N-[1-(4-buta-1,3-dien-2-ylsulfanylphenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide
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2-[(2-hydroxybenzoyl)amino]ethyl nitrate
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CID 83039586

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(2-hydroxyethyldisulfanyl)ethylcarbamoyl]benzamide?
The IUPAC name of 2-hydroxy-N-[2-(2-hydroxyethyldisulfanyl)ethylcarbamoyl]benzamide (CID 88987524) is 2-hydroxy-N-[2-(2-hydroxyethyldisulfanyl)ethylcarbamoyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[2-(2-hydroxyethyldisulfanyl)ethylcarbamoyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[2-(2-hydroxyethyldisulfanyl)ethylcarbamoyl]benzamide is O=C(NCCSSCCO)NC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[2-(2-hydroxyethyldisulfanyl)ethylcarbamoyl]benzamide?
The InChIKey is SLPQFHMTARUCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S2/c15-6-8-20-19-7-5-13-12(18)14-11(17)9-3-1-2-4-10(9)16/h1-4,15-16H,5-8H2,(H2,13,14,17,18).
What are the key properties of 2-hydroxy-N-[2-(2-hydroxyethyldisulfanyl)ethylcarbamoyl]benzamide?
2-hydroxy-N-[2-(2-hydroxyethyldisulfanyl)ethylcarbamoyl]benzamide has a molecular weight of 316.40 g/mol, XLogP of 1.21, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(2-hydroxyethyldisulfanyl)ethylcarbamoyl]benzamide is sourced from PubChem (CID 88987524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).