2-(naphthalen-2-ylmethylsulfanyl)acetamide

C13H13NOS — CID 18356582

IUPAC2-(naphthalen-2-ylmethylsulfanyl)acetamide
SMILESNC(=O)CSCc1ccc2ccccc2c1
InChIInChI=1S/C13H13NOS/c14-13(15)9-16-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7H,8-9H2,(H2,14,15)
InChIKeyIBCMLPCVHOLDTG-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.56
Rot. Bonds4

About 2-(naphthalen-2-ylmethylsulfanyl)acetamide

2-(naphthalen-2-ylmethylsulfanyl)acetamide (PubChem CID 18356582) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-(naphthalen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound Name2-(naphthalen-2-ylmethylsulfanyl)acetamide
PubChem CID18356582
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name2-(naphthalen-2-ylmethylsulfanyl)acetamide
SMILESNC(=O)CSCc1ccc2ccccc2c1
InChIInChI=1S/C13H13NOS/c14-13(15)9-16-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7H,8-9H2,(H2,14,15)
InChIKeyIBCMLPCVHOLDTG-UHFFFAOYSA-N
XLogP2.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of 2-(naphthalen-2-ylmethylsulfanyl)acetamide (CID 18356582) is 2-(naphthalen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for 2-(naphthalen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for 2-(naphthalen-2-ylmethylsulfanyl)acetamide is NC(=O)CSCc1ccc2ccccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylmethylsulfanyl)acetamide?
The InChIKey is IBCMLPCVHOLDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c14-13(15)9-16-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7H,8-9H2,(H2,14,15).
What are the key properties of 2-(naphthalen-2-ylmethylsulfanyl)acetamide?
2-(naphthalen-2-ylmethylsulfanyl)acetamide has a molecular weight of 231.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 18356582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).