2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide

C16H24N2O2S — CID 2616380

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
SMILESCc1ccc(SCC(=O)NC(=O)NCCC(C)C)c(C)c1
InChIInChI=1S/C16H24N2O2S/c1-11(2)7-8-17-16(20)18-15(19)10-21-14-6-5-12(3)9-13(14)4/h5-6,9,11H,7-8,10H2,1-4H3,(H2,17,18,19,20)
InChIKeyFIPPASZBFJZGCD-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.27
Rot. Bonds6

About 2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide

2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide (PubChem CID 2616380) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
PubChem CID2616380
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
SMILESCc1ccc(SCC(=O)NC(=O)NCCC(C)C)c(C)c1
InChIInChI=1S/C16H24N2O2S/c1-11(2)7-8-17-16(20)18-15(19)10-21-14-6-5-12(3)9-13(14)4/h5-6,9,11H,7-8,10H2,1-4H3,(H2,17,18,19,20)
InChIKeyFIPPASZBFJZGCD-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.27
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-(3-methylbutylcarbamoyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide (CID 2616380) is 2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide is Cc1ccc(SCC(=O)NC(=O)NCCC(C)C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide?
The InChIKey is FIPPASZBFJZGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11(2)7-8-17-16(20)18-15(19)10-21-14-6-5-12(3)9-13(14)4/h5-6,9,11H,7-8,10H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide?
2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide has a molecular weight of 308.45 g/mol, XLogP of 3.27, 6 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-(3-methylbutylcarbamoyl)acetamide is sourced from PubChem (CID 2616380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).