N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide

C13H19NO3S — CID 90522960

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(C)(O)CSC)c1
InChIInChI=1S/C13H19NO3S/c1-13(16,9-18-3)8-14-12(15)10-5-4-6-11(7-10)17-2/h4-7,16H,8-9H2,1-3H3,(H,14,15)
InChIKeyXZCDBDILDNMEPM-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.54
Rot. Bonds6

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide (PubChem CID 90522960) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide
PubChem CID90522960
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(C)(O)CSC)c1
InChIInChI=1S/C13H19NO3S/c1-13(16,9-18-3)8-14-12(15)10-5-4-6-11(7-10)17-2/h4-7,16H,8-9H2,1-3H3,(H,14,15)
InChIKeyXZCDBDILDNMEPM-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide
CID 103840032
3-bromo-4-fluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 103707610
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide
CID 103712720
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide
CID 90499769
N-(2-tert-butylsulfanylethyl)-3-methoxybenzamide
CID 71879808
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylbenzamide
CID 103720300
3-fluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylbenzamide
CID 111436034
3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methoxybenzamide
CID 106242351
N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide
CID 65112128
N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide
CID 106289382
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide
CID 90522939

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide (CID 90522960) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide is COc1cccc(C(=O)NCC(C)(O)CSC)c1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide?
The InChIKey is XZCDBDILDNMEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-13(16,9-18-3)8-14-12(15)10-5-4-6-11(7-10)17-2/h4-7,16H,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide has a molecular weight of 269.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide is sourced from PubChem (CID 90522960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).