N-ethyl-2-naphthalen-2-ylsulfanylacetamide

C14H15NOS — CID 2500692

IUPACN-ethyl-2-naphthalen-2-ylsulfanylacetamide
SMILESCCNC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C14H15NOS/c1-2-15-14(16)10-17-13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3,(H,15,16)
InChIKeySABYUINBYQFLBB-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.07
Rot. Bonds4

About N-ethyl-2-naphthalen-2-ylsulfanylacetamide

N-ethyl-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 2500692) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is N-ethyl-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-naphthalen-2-ylsulfanylacetamide
PubChem CID2500692
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC NameN-ethyl-2-naphthalen-2-ylsulfanylacetamide
SMILESCCNC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C14H15NOS/c1-2-15-14(16)10-17-13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3,(H,15,16)
InChIKeySABYUINBYQFLBB-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-ethyl-2-naphthalen-2-ylsulfanylacetamide (CID 2500692) is N-ethyl-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-ethyl-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-ethyl-2-naphthalen-2-ylsulfanylacetamide is CCNC(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is SABYUINBYQFLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-2-15-14(16)10-17-13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3,(H,15,16).
What are the key properties of N-ethyl-2-naphthalen-2-ylsulfanylacetamide?
N-ethyl-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 245.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 2500692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).