2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide

C13H19NO3S — CID 115604496

IUPAC2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide
SMILESCOc1ccc(C(=O)NCCC(C)SC)c(O)c1
InChIInChI=1S/C13H19NO3S/c1-9(18-3)6-7-14-13(16)11-5-4-10(17-2)8-12(11)15/h4-5,8-9,15H,6-7H2,1-3H3,(H,14,16)
InChIKeyNTJUJCKBOYWRGO-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.27
Rot. Bonds6

About 2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide

2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide (PubChem CID 115604496) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide
PubChem CID115604496
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide
SMILESCOc1ccc(C(=O)NCCC(C)SC)c(O)c1
InChIInChI=1S/C13H19NO3S/c1-9(18-3)6-7-14-13(16)11-5-4-10(17-2)8-12(11)15/h4-5,8-9,15H,6-7H2,1-3H3,(H,14,16)
InChIKeyNTJUJCKBOYWRGO-UHFFFAOYSA-N
XLogP2.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide
CID 115604498
2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide
CID 113238429
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 47415526
2-hydroxy-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039381
2-hydroxy-4-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 103604676
2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 115302649
2-hydroxy-4-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 43019441
2-hydroxy-N-(2-hydroxy-4-methylpentyl)-4-methoxybenzamide
CID 103819096
N-(2-amino-3-hydroxybutyl)-2-hydroxy-4-methoxybenzamide
CID 64540805
2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 103722588

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide (CID 115604496) is 2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide is COc1ccc(C(=O)NCCC(C)SC)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide?
The InChIKey is NTJUJCKBOYWRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9(18-3)6-7-14-13(16)11-5-4-10(17-2)8-12(11)15/h4-5,8-9,15H,6-7H2,1-3H3,(H,14,16).
What are the key properties of 2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide?
2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide has a molecular weight of 269.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide is sourced from PubChem (CID 115604496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).