N-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide

C13H19NO2S — CID 65110031

IUPACN-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)NCC(C)(C)O)c1
InChIInChI=1S/C13H19NO2S/c1-9-5-6-10(17-4)7-11(9)12(15)14-8-13(2,3)16/h5-7,16H,8H2,1-4H3,(H,14,15)
InChIKeyAOVXSKJVALBWCV-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.22
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide

N-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide (PubChem CID 65110031) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide
PubChem CID65110031
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)NCC(C)(C)O)c1
InChIInChI=1S/C13H19NO2S/c1-9-5-6-10(17-4)7-11(9)12(15)14-8-13(2,3)16/h5-7,16H,8H2,1-4H3,(H,14,15)
InChIKeyAOVXSKJVALBWCV-UHFFFAOYSA-N
XLogP2.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide
CID 47149231
N-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide
CID 119522951
2-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]propanoic acid
CID 61261706
2-methoxy-3-[(2-methyl-5-methylsulfanylbenzoyl)amino]propanoic acid
CID 106107843
2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide
CID 111335170
2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78780256
N-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide
CID 79676305
3-[tert-butyl-(2-methyl-5-methylsulfanylbenzoyl)amino]propanoic acid
CID 60825144
2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883628
N-[2-(dimethylamino)-2-phenylethyl]-2-methyl-5-methylsulfanylbenzamide
CID 134018244
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methyl-5-methylsulfanylbenzamide
CID 111662633
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide
CID 111565791

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide (CID 65110031) is N-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide is CSc1ccc(C)c(C(=O)NCC(C)(C)O)c1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide?
The InChIKey is AOVXSKJVALBWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9-5-6-10(17-4)7-11(9)12(15)14-8-13(2,3)16/h5-7,16H,8H2,1-4H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide?
N-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide has a molecular weight of 253.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 65110031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).