N-naphthalen-1-yl-2-thiophen-2-ylsulfanylacetamide

C16H13NOS2 — CID 895734

IUPACN-naphthalen-1-yl-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)Nc1cccc2ccccc12
InChIInChI=1S/C16H13NOS2/c18-15(11-20-16-9-4-10-19-16)17-14-8-3-6-12-5-1-2-7-13(12)14/h1-10H,11H2,(H,17,18)
InChIKeySOXJKSPOXFCCHL-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.63
Rot. Bonds4

About N-naphthalen-1-yl-2-thiophen-2-ylsulfanylacetamide

N-naphthalen-1-yl-2-thiophen-2-ylsulfanylacetamide (PubChem CID 895734) has the molecular formula C16H13NOS2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-thiophen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-thiophen-2-ylsulfanylacetamide
PubChem CID895734
Molecular FormulaC16H13NOS2
Molecular Weight299.42 g/mol
Exact Mass299.04
IUPAC NameN-naphthalen-1-yl-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)Nc1cccc2ccccc12
InChIInChI=1S/C16H13NOS2/c18-15(11-20-16-9-4-10-19-16)17-14-8-3-6-12-5-1-2-7-13(12)14/h1-10H,11H2,(H,17,18)
InChIKeySOXJKSPOXFCCHL-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-thiophen-2-ylsulfanylacetamide?
The IUPAC name of N-naphthalen-1-yl-2-thiophen-2-ylsulfanylacetamide (CID 895734) is N-naphthalen-1-yl-2-thiophen-2-ylsulfanylacetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-thiophen-2-ylsulfanylacetamide?
The canonical SMILES for N-naphthalen-1-yl-2-thiophen-2-ylsulfanylacetamide is O=C(CSc1cccs1)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-thiophen-2-ylsulfanylacetamide?
The InChIKey is SOXJKSPOXFCCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS2/c18-15(11-20-16-9-4-10-19-16)17-14-8-3-6-12-5-1-2-7-13(12)14/h1-10H,11H2,(H,17,18).
What are the key properties of N-naphthalen-1-yl-2-thiophen-2-ylsulfanylacetamide?
N-naphthalen-1-yl-2-thiophen-2-ylsulfanylacetamide has a molecular weight of 299.42 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-thiophen-2-ylsulfanylacetamide is sourced from PubChem (CID 895734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).