N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide

C12H17NO2S — CID 62028199

IUPACN-butyl-2-(2-hydroxyphenyl)sulfanylacetamide
SMILESCCCCNC(=O)CSc1ccccc1O
InChIInChI=1S/C12H17NO2S/c1-2-3-8-13-12(15)9-16-11-7-5-4-6-10(11)14/h4-7,14H,2-3,8-9H2,1H3,(H,13,15)
InChIKeyHXQYBXABDNQZKB-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.40
Rot. Bonds6

About N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide

N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide (PubChem CID 62028199) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-butyl-2-(2-hydroxyphenyl)sulfanylacetamide
PubChem CID62028199
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-butyl-2-(2-hydroxyphenyl)sulfanylacetamide
SMILESCCCCNC(=O)CSc1ccccc1O
InChIInChI=1S/C12H17NO2S/c1-2-3-8-13-12(15)9-16-11-7-5-4-6-10(11)14/h4-7,14H,2-3,8-9H2,1H3,(H,13,15)
InChIKeyHXQYBXABDNQZKB-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 62000718
N-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
CID 62026306
N-[3-(methylamino)propyl]-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119430704
N-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2696151
6-[[2-(2-methylphenyl)sulfanylacetyl]amino]hexanoic acid
CID 43091712
2-pyridin-2-ylsulfanyl-N-tetradecylacetamide
CID 2802554
N-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide
CID 71981298
N-butyl-2-phthalazin-1-ylsulfanylacetamide
CID 47154236
2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862035
N-butyl-2-[4-(2-chloroacetyl)phenyl]sulfanylacetamide
CID 82165584
(3S)-N-butyl-3-(butylamino)-3-(2-hydroxyphenyl)propanamide
CID 2053240
N-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide
CID 63182961

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide?
The IUPAC name of N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide (CID 62028199) is N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide?
The canonical SMILES for N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide is CCCCNC(=O)CSc1ccccc1O.
What is the InChIKey of N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide?
The InChIKey is HXQYBXABDNQZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-3-8-13-12(15)9-16-11-7-5-4-6-10(11)14/h4-7,14H,2-3,8-9H2,1H3,(H,13,15).
What are the key properties of N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide?
N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide has a molecular weight of 239.34 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide is sourced from PubChem (CID 62028199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).