N-(2,5-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide

C20H19NO3S — CID 2500823

IUPACN-(2,5-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H19NO3S/c1-23-16-8-10-19(24-2)18(12-16)21-20(22)13-25-17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyRNVQCTAPJQROOH-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.59
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 2500823) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
PubChem CID2500823
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-(2,5-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H19NO3S/c1-23-16-8-10-19(24-2)18(12-16)21-20(22)13-25-17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyRNVQCTAPJQROOH-UHFFFAOYSA-N
XLogP4.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide (CID 2500823) is N-(2,5-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide is COc1ccc(OC)c(NC(=O)CSc2ccc3ccccc3c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is RNVQCTAPJQROOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-23-16-8-10-19(24-2)18(12-16)21-20(22)13-25-17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,13H2,1-2H3,(H,21,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 353.44 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 2500823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).