N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide

C13H17NOS — CID 107035035

IUPACN-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide
SMILESCC1CC1CNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C13H17NOS/c1-9-6-11(9)8-14-13(15)7-10-2-4-12(16)5-3-10/h2-5,9,11,16H,6-8H2,1H3,(H,14,15)
InChIKeyALWSWWPXIYLUMN-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.29
Rot. Bonds4

About N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide

N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide (PubChem CID 107035035) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide
PubChem CID107035035
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide
SMILESCC1CC1CNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C13H17NOS/c1-9-6-11(9)8-14-13(15)7-10-2-4-12(16)5-3-10/h2-5,9,11,16H,6-8H2,1H3,(H,14,15)
InChIKeyALWSWWPXIYLUMN-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107421052
2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide
CID 115597585
N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 106137813
N-(3,5-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
CID 107030984
N-(3,4-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
CID 107030998
2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide
CID 107035038
N-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide
CID 107035039
N-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide
CID 107035066
N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107019509
2-hydroxy-N-[(2-methylcyclopropyl)methyl]acetamide
CID 126990825
N-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
CID 107021542
N-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 47189594

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide (CID 107035035) is N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide is CC1CC1CNC(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide?
The InChIKey is ALWSWWPXIYLUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-9-6-11(9)8-14-13(15)7-10-2-4-12(16)5-3-10/h2-5,9,11,16H,6-8H2,1H3,(H,14,15).
What are the key properties of N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide?
N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide has a molecular weight of 235.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107035035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).