2-(4-propan-2-ylsulfanylphenyl)propanamide

C12H17NOS — CID 3075987

IUPAC2-(4-propan-2-ylsulfanylphenyl)propanamide
SMILESCC(C)Sc1ccc(C(C)C(N)=O)cc1
InChIInChI=1S/C12H17NOS/c1-8(2)15-11-6-4-10(5-7-11)9(3)12(13)14/h4-9H,1-3H3,(H2,13,14)
InChIKeyVAOFQZQSUSJVEJ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.78
Rot. Bonds4

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

2-(4-propan-2-ylsulfanylphenyl)propanamide (PubChem CID 3075987) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfanylphenyl)propanamide
PubChem CID3075987
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(4-propan-2-ylsulfanylphenyl)propanamide
SMILESCC(C)Sc1ccc(C(C)C(N)=O)cc1
InChIInChI=1S/C12H17NOS/c1-8(2)15-11-6-4-10(5-7-11)9(3)12(13)14/h4-9H,1-3H3,(H2,13,14)
InChIKeyVAOFQZQSUSJVEJ-UHFFFAOYSA-N
XLogP2.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.78
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)propanamide?
The IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)propanamide (CID 3075987) is 2-(4-propan-2-ylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-(4-propan-2-ylsulfanylphenyl)propanamide?
The canonical SMILES for 2-(4-propan-2-ylsulfanylphenyl)propanamide is CC(C)Sc1ccc(C(C)C(N)=O)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfanylphenyl)propanamide?
The InChIKey is VAOFQZQSUSJVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-8(2)15-11-6-4-10(5-7-11)9(3)12(13)14/h4-9H,1-3H3,(H2,13,14).
What are the key properties of 2-(4-propan-2-ylsulfanylphenyl)propanamide?
2-(4-propan-2-ylsulfanylphenyl)propanamide has a molecular weight of 223.34 g/mol, XLogP of 2.78, 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)propanamide is sourced from PubChem (CID 3075987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).