2-pyrimidin-2-ylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C16H17N3OS — CID 4878484

IUPAC2-pyrimidin-2-ylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CSc1ncccn1)NC1CCCc2ccccc21
InChIInChI=1S/C16H17N3OS/c20-15(11-21-16-17-9-4-10-18-16)19-14-8-3-6-12-5-1-2-7-13(12)14/h1-2,4-5,7,9-10,14H,3,6,8,11H2,(H,19,20)
InChIKeyHNKVJMWACUYKLC-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.76
Rot. Bonds4

About 2-pyrimidin-2-ylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-pyrimidin-2-ylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 4878484) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-pyrimidin-2-ylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-pyrimidin-2-ylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID4878484
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-pyrimidin-2-ylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CSc1ncccn1)NC1CCCc2ccccc21
InChIInChI=1S/C16H17N3OS/c20-15(11-21-16-17-9-4-10-18-16)19-14-8-3-6-12-5-1-2-7-13(12)14/h1-2,4-5,7,9-10,14H,3,6,8,11H2,(H,19,20)
InChIKeyHNKVJMWACUYKLC-UHFFFAOYSA-N
XLogP2.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 4878484) is 2-pyrimidin-2-ylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-pyrimidin-2-ylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-pyrimidin-2-ylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(CSc1ncccn1)NC1CCCc2ccccc21.
What is the InChIKey of 2-pyrimidin-2-ylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is HNKVJMWACUYKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c20-15(11-21-16-17-9-4-10-18-16)19-14-8-3-6-12-5-1-2-7-13(12)14/h1-2,4-5,7,9-10,14H,3,6,8,11H2,(H,19,20).
What are the key properties of 2-pyrimidin-2-ylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-pyrimidin-2-ylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 299.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 4878484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).