N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide

C20H19NO3S — CID 2500878

IUPACN-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C20H19NO3S/c1-23-18-10-8-16(12-19(18)24-2)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)
InChIKeyMWOLVKOUAOOCQL-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.59
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide

N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 2500878) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
PubChem CID2500878
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C20H19NO3S/c1-23-18-10-8-16(12-19(18)24-2)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)
InChIKeyMWOLVKOUAOOCQL-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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Related Compounds

2-(1-bromonaphthalen-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 5172629
N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 46769269
N-(3-hydroxy-4-methoxyphenyl)-2-phenylsulfanylacetamide
CID 7974901
N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 55539737
N-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 4560101
2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 9102401
2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
CID 7736930
2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 28635923
2-(3,4-dimethoxyphenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)acetamide
CID 28580453
N-(4-chloro-2-methoxy-5-methylphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 7402984
N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 51891778
N-(4-ethoxy-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 86845710

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide (CID 2500878) is N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide is COc1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is MWOLVKOUAOOCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-23-18-10-8-16(12-19(18)24-2)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-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide?
N-(3,4-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-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 2500878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).