2-hydroxy-N-(4-sulfanylhexadecyl)benzamide

C23H39NO2S — CID 88819148

IUPAC2-hydroxy-N-(4-sulfanylhexadecyl)benzamide
SMILESCCCCCCCCCCCCC(S)CCCNC(=O)c1ccccc1O
InChIInChI=1S/C23H39NO2S/c1-2-3-4-5-6-7-8-9-10-11-15-20(27)16-14-19-24-23(26)21-17-12-13-18-22(21)25/h12-13,17-18,20,25,27H,2-11,14-16,19H2,1H3,(H,24,26)
InChIKeyGQTAXLUNFDQCEX-UHFFFAOYSA-N
MW393.64 g/mol
LogP6.51
Rot. Bonds16

About 2-hydroxy-N-(4-sulfanylhexadecyl)benzamide

2-hydroxy-N-(4-sulfanylhexadecyl)benzamide (PubChem CID 88819148) has the molecular formula C23H39NO2S and a molecular weight of 393.64 g/mol. Its IUPAC name is 2-hydroxy-N-(4-sulfanylhexadecyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(4-sulfanylhexadecyl)benzamide
PubChem CID88819148
Molecular FormulaC23H39NO2S
Molecular Weight393.64 g/mol
Exact Mass393.27
IUPAC Name2-hydroxy-N-(4-sulfanylhexadecyl)benzamide
SMILESCCCCCCCCCCCCC(S)CCCNC(=O)c1ccccc1O
InChIInChI=1S/C23H39NO2S/c1-2-3-4-5-6-7-8-9-10-11-15-20(27)16-14-19-24-23(26)21-17-12-13-18-22(21)25/h12-13,17-18,20,25,27H,2-11,14-16,19H2,1H3,(H,24,26)
InChIKeyGQTAXLUNFDQCEX-UHFFFAOYSA-N
XLogP6.51
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.64
LogP ≤ 56.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dodecyl-[3-[(2-hydroxybenzoyl)amino]propyl]-methylsulfanium bromide
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2-(octacosylcarbamoyl)benzoic acid
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N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]-2-hydroxybenzamide
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2-hydroxy-N-(10-oxoundecyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-sulfanylhexadecyl)benzamide?
The IUPAC name of 2-hydroxy-N-(4-sulfanylhexadecyl)benzamide (CID 88819148) is 2-hydroxy-N-(4-sulfanylhexadecyl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(4-sulfanylhexadecyl)benzamide?
The canonical SMILES for 2-hydroxy-N-(4-sulfanylhexadecyl)benzamide is CCCCCCCCCCCCC(S)CCCNC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(4-sulfanylhexadecyl)benzamide?
The InChIKey is GQTAXLUNFDQCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO2S/c1-2-3-4-5-6-7-8-9-10-11-15-20(27)16-14-19-24-23(26)21-17-12-13-18-22(21)25/h12-13,17-18,20,25,27H,2-11,14-16,19H2,1H3,(H,24,26).
What are the key properties of 2-hydroxy-N-(4-sulfanylhexadecyl)benzamide?
2-hydroxy-N-(4-sulfanylhexadecyl)benzamide has a molecular weight of 393.64 g/mol, XLogP of 6.51, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4-sulfanylhexadecyl)benzamide is sourced from PubChem (CID 88819148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).