N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide

C21H21NO3S — CID 41287271

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NCc2ccc3cc(OC)ccc3c2)cc1
InChIInChI=1S/C21H21NO3S/c1-24-18-7-9-20(10-8-18)26-14-21(23)22-13-15-3-4-17-12-19(25-2)6-5-16(17)11-15/h3-12H,13-14H2,1-2H3,(H,22,23)
InChIKeyMIDSKMPUTXDZFG-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.27
Rot. Bonds7

About N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide

N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 41287271) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID41287271
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NCc2ccc3cc(OC)ccc3c2)cc1
InChIInChI=1S/C21H21NO3S/c1-24-18-7-9-20(10-8-18)26-14-21(23)22-13-15-3-4-17-12-19(25-2)6-5-16(17)11-15/h3-12H,13-14H2,1-2H3,(H,22,23)
InChIKeyMIDSKMPUTXDZFG-UHFFFAOYSA-N
XLogP4.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 30307528
N-[(4-fluoro-3-methylphenyl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 29304367
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide
CID 112816195
2-(4-methoxyphenyl)sulfanyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 78851945
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 2707709
2-(2-fluorophenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 51317159
N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 30397462
2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 3208098
2-(4-methoxyphenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724032

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide (CID 41287271) is N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)NCc2ccc3cc(OC)ccc3c2)cc1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is MIDSKMPUTXDZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-24-18-7-9-20(10-8-18)26-14-21(23)22-13-15-3-4-17-12-19(25-2)6-5-16(17)11-15/h3-12H,13-14H2,1-2H3,(H,22,23).
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide?
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 367.47 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 41287271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).