2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide

C14H20N2O2S — CID 2616328

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
SMILESCc1ccc(SCC(=O)NC(=O)NC(C)C)c(C)c1
InChIInChI=1S/C14H20N2O2S/c1-9(2)15-14(18)16-13(17)8-19-12-6-5-10(3)7-11(12)4/h5-7,9H,8H2,1-4H3,(H2,15,16,17,18)
InChIKeyXREXBFKFLNBYMV-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.63
Rot. Bonds4

About 2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide

2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 2616328) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID2616328
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
SMILESCc1ccc(SCC(=O)NC(=O)NC(C)C)c(C)c1
InChIInChI=1S/C14H20N2O2S/c1-9(2)15-14(18)16-13(17)8-19-12-6-5-10(3)7-11(12)4/h5-7,9H,8H2,1-4H3,(H2,15,16,17,18)
InChIKeyXREXBFKFLNBYMV-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide (CID 2616328) is 2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide is Cc1ccc(SCC(=O)NC(=O)NC(C)C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is XREXBFKFLNBYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9(2)15-14(18)16-13(17)8-19-12-6-5-10(3)7-11(12)4/h5-7,9H,8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide?
2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 280.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 2616328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).