2-(4-propan-2-ylsulfanylphenyl)acetamide

C11H15NOS — CID 827349

IUPAC2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(N)=O)cc1
InChIInChI=1S/C11H15NOS/c1-8(2)14-10-5-3-9(4-6-10)7-11(12)13/h3-6,8H,7H2,1-2H3,(H2,12,13)
InChIKeyXGYJIDQPTJASEZ-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.21
Rot. Bonds4

About 2-(4-propan-2-ylsulfanylphenyl)acetamide

2-(4-propan-2-ylsulfanylphenyl)acetamide (PubChem CID 827349) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfanylphenyl)acetamide
PubChem CID827349
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(N)=O)cc1
InChIInChI=1S/C11H15NOS/c1-8(2)14-10-5-3-9(4-6-10)7-11(12)13/h3-6,8H,7H2,1-2H3,(H2,12,13)
InChIKeyXGYJIDQPTJASEZ-UHFFFAOYSA-N
XLogP2.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)acetamide (CID 827349) is 2-(4-propan-2-ylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-propan-2-ylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-propan-2-ylsulfanylphenyl)acetamide is CC(C)Sc1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfanylphenyl)acetamide?
The InChIKey is XGYJIDQPTJASEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8(2)14-10-5-3-9(4-6-10)7-11(12)13/h3-6,8H,7H2,1-2H3,(H2,12,13).
What are the key properties of 2-(4-propan-2-ylsulfanylphenyl)acetamide?
2-(4-propan-2-ylsulfanylphenyl)acetamide has a molecular weight of 209.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfanylphenyl)acetamide is sourced from PubChem (CID 827349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).