N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide

C13H18N2O3S — CID 90523165

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide
SMILESCSCC(C)(O)CNC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O3S/c1-13(18,9-19-2)8-14-11(16)12(17)15-10-6-4-3-5-7-10/h3-7,18H,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyLNOHIPNJSKUIAF-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.86
Rot. Bonds5

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide (PubChem CID 90523165) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide
PubChem CID90523165
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide
SMILESCSCC(C)(O)CNC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O3S/c1-13(18,9-19-2)8-14-11(16)12(17)15-10-6-4-3-5-7-10/h3-7,18H,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyLNOHIPNJSKUIAF-UHFFFAOYSA-N
XLogP0.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide 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-chloro-4-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
CID 90523212
N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide
CID 95984215
N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide
CID 90498651
N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide
CID 109380534
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamoyl]benzoic acid
CID 106244371
N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498674
benzyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 103835599
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide
CID 95984213
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984125
2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide
CID 106247688
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide
CID 103681477
1-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 95981164

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide (CID 90523165) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide is CSCC(C)(O)CNC(=O)C(=O)Nc1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide?
The InChIKey is LNOHIPNJSKUIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-13(18,9-19-2)8-14-11(16)12(17)15-10-6-4-3-5-7-10/h3-7,18H,8-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide has a molecular weight of 282.36 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide is sourced from PubChem (CID 90523165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).