N-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide

C13H19NOS — CID 10633640

IUPACN-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide
SMILESCC(=O)NC(C)(C)CCSc1ccccc1
InChIInChI=1S/C13H19NOS/c1-11(15)14-13(2,3)9-10-16-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,14,15)
InChIKeyGLHTWMAHURCYJG-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.08
Rot. Bonds5

About N-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide

N-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide (PubChem CID 10633640) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide
PubChem CID10633640
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide
SMILESCC(=O)NC(C)(C)CCSc1ccccc1
InChIInChI=1S/C13H19NOS/c1-11(15)14-13(2,3)9-10-16-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,14,15)
InChIKeyGLHTWMAHURCYJG-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-4-phenylsulfanylbutanamide
CID 142130509
N-(1-bromo-2-methylpropan-2-yl)-2-phenylsulfanylacetamide
CID 114308012
2-methyl-4-phenylsulfanylbutan-2-amine
CID 10584022
N'-acetyl-3-phenylsulfanylpropanehydrazide
CID 30905937
2-benzamido-2-(2-phenylsulfanylethyl)propanedioic acid
CID 18381751
N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide
CID 117032830
3-methyl-1-phenylsulfanylhexan-3-amine
CID 79223944
N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine
CID 81023439
1,5-bis(phenylsulfanyl)pentan-3-one
CID 14244732
2-methyl-2-(2-phenylsulfanylethylcarbamoylamino)butanoic acid
CID 79211602
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylsulfanylpropanamide
CID 79291613
2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine
CID 79228773

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide?
The IUPAC name of N-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide (CID 10633640) is N-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for N-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for N-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide is CC(=O)NC(C)(C)CCSc1ccccc1.
What is the InChIKey of N-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide?
The InChIKey is GLHTWMAHURCYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-11(15)14-13(2,3)9-10-16-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,14,15).
What are the key properties of N-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide?
N-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide has a molecular weight of 237.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 10633640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).