N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide

C14H21NO2S — CID 115665154

IUPACN-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide
SMILESCCSCCC(C)NC(=O)c1ccc(C)cc1O
InChIInChI=1S/C14H21NO2S/c1-4-18-8-7-11(3)15-14(17)12-6-5-10(2)9-13(12)16/h5-6,9,11,16H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyUYBZRABOSLYJRX-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.96
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide

N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide (PubChem CID 115665154) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide
PubChem CID115665154
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide
SMILESCCSCCC(C)NC(=O)c1ccc(C)cc1O
InChIInChI=1S/C14H21NO2S/c1-4-18-8-7-11(3)15-14(17)12-6-5-10(2)9-13(12)16/h5-6,9,11,16H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyUYBZRABOSLYJRX-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.96
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

N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-5-iodobenzamide
CID 103713644
N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 115681959
2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 24700633
2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide
CID 115747545
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide
CID 115662149
N-hex-1-yn-3-yl-2-hydroxy-4-methylbenzamide
CID 103528937
4-bromo-N-butan-2-yl-2-hydroxybenzamide
CID 47435868
N-[(2R)-4-ethylsulfanylbutan-2-yl]-5-methylfuran-2-carboxamide
CID 97318613
N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide
CID 113245327
N-(4-ethylsulfanylbutan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 115697220
2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 115636004

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide (CID 115665154) is N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide is CCSCCC(C)NC(=O)c1ccc(C)cc1O.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide?
The InChIKey is UYBZRABOSLYJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-4-18-8-7-11(3)15-14(17)12-6-5-10(2)9-13(12)16/h5-6,9,11,16H,4,7-8H2,1-3H3,(H,15,17).
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide?
N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide has a molecular weight of 267.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 115665154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).