2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide

C15H23NOS — CID 112781301

IUPAC2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide
SMILESCCCCSCC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C15H23NOS/c1-4-5-10-18-11-15(17)16-14-9-7-6-8-13(14)12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,16,17)
InChIKeyNHTWQQDPUTUGGX-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.28
Rot. Bonds7

About 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide

2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 112781301) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide
PubChem CID112781301
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide
SMILESCCCCSCC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C15H23NOS/c1-4-5-10-18-11-15(17)16-14-9-7-6-8-13(14)12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,16,17)
InChIKeyNHTWQQDPUTUGGX-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide (CID 112781301) is 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide is CCCCSCC(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is NHTWQQDPUTUGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-5-10-18-11-15(17)16-14-9-7-6-8-13(14)12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,16,17).
What are the key properties of 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide?
2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 265.42 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 112781301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).