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

C13H19NO3S — CID 113238429

IUPAC2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide
SMILESCOc1ccc(C(=O)NCCCCSC)c(O)c1
InChIInChI=1S/C13H19NO3S/c1-17-10-5-6-11(12(15)9-10)13(16)14-7-3-4-8-18-2/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKeyCULHHUBZXKIPJM-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.27
Rot. Bonds7

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

2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide (PubChem CID 113238429) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide
PubChem CID113238429
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide
SMILESCOc1ccc(C(=O)NCCCCSC)c(O)c1
InChIInChI=1S/C13H19NO3S/c1-17-10-5-6-11(12(15)9-10)13(16)14-7-3-4-8-18-2/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKeyCULHHUBZXKIPJM-UHFFFAOYSA-N
XLogP2.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 113304588
2-hydroxy-4-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 103604676
2-hydroxy-4-methoxy-N-(3-propoxypropyl)benzamide
CID 82943037
2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide
CID 115604496
2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 47415526
2-hydroxy-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039381
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 103722588
2-[(2-hydroxy-4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 24697031

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide (CID 113238429) is 2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide is COc1ccc(C(=O)NCCCCSC)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide?
The InChIKey is CULHHUBZXKIPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-17-10-5-6-11(12(15)9-10)13(16)14-7-3-4-8-18-2/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,14,16).
What are the key properties of 2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide?
2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide has a molecular weight of 269.37 g/mol, XLogP of 2.27, 7 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-(4-methylsulfanylbutyl)benzamide is sourced from PubChem (CID 113238429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).