2-(2,5-dimethylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide

C16H18N2O2S — CID 4875708

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2cc(C)ccc2C)cn1
InChIInChI=1S/C16H18N2O2S/c1-11-4-5-12(2)14(8-11)21-10-15(19)18-13-6-7-16(20-3)17-9-13/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyLOUZGSVSVZDXKF-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.44
Rot. Bonds5

About 2-(2,5-dimethylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide

2-(2,5-dimethylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide (PubChem CID 4875708) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide
PubChem CID4875708
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2cc(C)ccc2C)cn1
InChIInChI=1S/C16H18N2O2S/c1-11-4-5-12(2)14(8-11)21-10-15(19)18-13-6-7-16(20-3)17-9-13/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyLOUZGSVSVZDXKF-UHFFFAOYSA-N
XLogP3.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide (CID 4875708) is 2-(2,5-dimethylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide is COc1ccc(NC(=O)CSc2cc(C)ccc2C)cn1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide?
The InChIKey is LOUZGSVSVZDXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-4-5-12(2)14(8-11)21-10-15(19)18-13-6-7-16(20-3)17-9-13/h4-9H,10H2,1-3H3,(H,18,19).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide?
2-(2,5-dimethylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide has a molecular weight of 302.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 4875708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).