2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide

C13H19NOS — CID 846730

IUPAC2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide
SMILESCc1ccc(SCC(=O)NCC(C)C)cc1
InChIInChI=1S/C13H19NOS/c1-10(2)8-14-13(15)9-16-12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyZLTXJLLNIIBIMN-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.86
Rot. Bonds5

About 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide

2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide (PubChem CID 846730) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide
PubChem CID846730
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide
SMILESCc1ccc(SCC(=O)NCC(C)C)cc1
InChIInChI=1S/C13H19NOS/c1-10(2)8-14-13(15)9-16-12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyZLTXJLLNIIBIMN-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-(Phenylthio)ethyl)acetamide
CID 13250272
(1R,2R)-N-(cyanomethyl)-2-{[(4-methylphenyl)sulfanyl]methyl}cyclohexane-1-carboxamide
CID 10308440
N-Benzyl-2-p-tolylsulfanyl-acetamide
CID 846551
N-benzyl-2-(phenylthio)acetamide
CID 846429
2-cyano-3-[4-(methylsulfanyl)phenyl]-N-(prop-2-en-1-yl)prop-2-enamide
CID 2376321
2-[(4-methylphenyl)thio]-N-(2-phenylethyl)acetamide
CID 846869
N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide
CID 881507
1-[2-(4-Methylphenyl)sulfanylacetyl]piperidine-4-carboxamide
CID 886822
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 2616380
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide (CID 846730) is 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide is Cc1ccc(SCC(=O)NCC(C)C)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide?
The InChIKey is ZLTXJLLNIIBIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10(2)8-14-13(15)9-16-12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,14,15).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide?
2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide has a molecular weight of 237.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 846730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).