2-(4-acetamidophenyl)sulfanyl-N-butan-2-ylacetamide

C14H20N2O2S — CID 5010791

IUPAC2-(4-acetamidophenyl)sulfanyl-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N2O2S/c1-4-10(2)15-14(18)9-19-13-7-5-12(6-8-13)16-11(3)17/h5-8,10H,4,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeySNJDDKGICANWBM-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.65
Rot. Bonds6

About 2-(4-acetamidophenyl)sulfanyl-N-butan-2-ylacetamide

2-(4-acetamidophenyl)sulfanyl-N-butan-2-ylacetamide (PubChem CID 5010791) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-butan-2-ylacetamide
PubChem CID5010791
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N2O2S/c1-4-10(2)15-14(18)9-19-13-7-5-12(6-8-13)16-11(3)17/h5-8,10H,4,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeySNJDDKGICANWBM-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-butan-2-ylacetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-butan-2-ylacetamide (CID 5010791) is 2-(4-acetamidophenyl)sulfanyl-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-butan-2-ylacetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-butan-2-ylacetamide is CCC(C)NC(=O)CSc1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-butan-2-ylacetamide?
The InChIKey is SNJDDKGICANWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-10(2)15-14(18)9-19-13-7-5-12(6-8-13)16-11(3)17/h5-8,10H,4,9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-butan-2-ylacetamide?
2-(4-acetamidophenyl)sulfanyl-N-butan-2-ylacetamide has a molecular weight of 280.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-butan-2-ylacetamide is sourced from PubChem (CID 5010791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).