N-(2-tert-butylphenyl)-2-methylsulfanylacetamide

C13H19NOS — CID 67575618

IUPACN-(2-tert-butylphenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C13H19NOS/c1-13(2,3)10-7-5-6-8-11(10)14-12(15)9-16-4/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyBGEGMRJBMVNJAT-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.29
Rot. Bonds3

About N-(2-tert-butylphenyl)-2-methylsulfanylacetamide

N-(2-tert-butylphenyl)-2-methylsulfanylacetamide (PubChem CID 67575618) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-methylsulfanylacetamide
PubChem CID67575618
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-(2-tert-butylphenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C13H19NOS/c1-13(2,3)10-7-5-6-8-11(10)14-12(15)9-16-4/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyBGEGMRJBMVNJAT-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-methylsulfanylacetamide (CID 67575618) is N-(2-tert-butylphenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-methylsulfanylacetamide is CSCC(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-2-methylsulfanylacetamide?
The InChIKey is BGEGMRJBMVNJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-13(2,3)10-7-5-6-8-11(10)14-12(15)9-16-4/h5-8H,9H2,1-4H3,(H,14,15).
What are the key properties of N-(2-tert-butylphenyl)-2-methylsulfanylacetamide?
N-(2-tert-butylphenyl)-2-methylsulfanylacetamide has a molecular weight of 237.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 67575618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).