2-(4-tert-butylphenyl)sulfanylacetamide

C12H17NOS — CID 975595

IUPAC2-(4-tert-butylphenyl)sulfanylacetamide
SMILESCC(C)(C)c1ccc(SCC(N)=O)cc1
InChIInChI=1S/C12H17NOS/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3,(H2,13,14)
InChIKeyQGFYJIMQGPLKIG-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.56
Rot. Bonds3

About 2-(4-tert-butylphenyl)sulfanylacetamide

2-(4-tert-butylphenyl)sulfanylacetamide (PubChem CID 975595) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfanylacetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfanylacetamide
PubChem CID975595
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(4-tert-butylphenyl)sulfanylacetamide
SMILESCC(C)(C)c1ccc(SCC(N)=O)cc1
InChIInChI=1S/C12H17NOS/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3,(H2,13,14)
InChIKeyQGFYJIMQGPLKIG-UHFFFAOYSA-N
XLogP2.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfanylacetamide?
The IUPAC name of 2-(4-tert-butylphenyl)sulfanylacetamide (CID 975595) is 2-(4-tert-butylphenyl)sulfanylacetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfanylacetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfanylacetamide is CC(C)(C)c1ccc(SCC(N)=O)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfanylacetamide?
The InChIKey is QGFYJIMQGPLKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3,(H2,13,14).
What are the key properties of 2-(4-tert-butylphenyl)sulfanylacetamide?
2-(4-tert-butylphenyl)sulfanylacetamide has a molecular weight of 223.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfanylacetamide is sourced from PubChem (CID 975595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).