2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide

C19H23N3O2S — CID 2538829

IUPAC2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCc1ccc(NC(=O)CSCC(=O)NCCc2ccccn2)c(C)c1
InChIInChI=1S/C19H23N3O2S/c1-14-6-7-17(15(2)11-14)22-19(24)13-25-12-18(23)21-10-8-16-5-3-4-9-20-16/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyHLXUIWLIGIQJAO-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.73
Rot. Bonds8

About 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide

2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 2538829) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID2538829
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCc1ccc(NC(=O)CSCC(=O)NCCc2ccccn2)c(C)c1
InChIInChI=1S/C19H23N3O2S/c1-14-6-7-17(15(2)11-14)22-19(24)13-25-12-18(23)21-10-8-16-5-3-4-9-20-16/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyHLXUIWLIGIQJAO-UHFFFAOYSA-N
XLogP2.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide (CID 2538829) is 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide is Cc1ccc(NC(=O)CSCC(=O)NCCc2ccccn2)c(C)c1.
What is the InChIKey of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is HLXUIWLIGIQJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14-6-7-17(15(2)11-14)22-19(24)13-25-12-18(23)21-10-8-16-5-3-4-9-20-16/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide?
2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 357.48 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 2538829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).