N-[(4-methoxythian-4-yl)methyl]-2-naphthalen-1-ylacetamide

C19H23NO2S — CID 91816762

IUPACN-[(4-methoxythian-4-yl)methyl]-2-naphthalen-1-ylacetamide
SMILESCOC1(CNC(=O)Cc2cccc3ccccc23)CCSCC1
InChIInChI=1S/C19H23NO2S/c1-22-19(9-11-23-12-10-19)14-20-18(21)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8H,9-14H2,1H3,(H,20,21)
InChIKeyYSCSTDYPRFRNAY-UHFFFAOYSA-N
MW329.46 g/mol
LogP3.41
Rot. Bonds5

About N-[(4-methoxythian-4-yl)methyl]-2-naphthalen-1-ylacetamide

N-[(4-methoxythian-4-yl)methyl]-2-naphthalen-1-ylacetamide (PubChem CID 91816762) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is N-[(4-methoxythian-4-yl)methyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(4-methoxythian-4-yl)methyl]-2-naphthalen-1-ylacetamide
PubChem CID91816762
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC NameN-[(4-methoxythian-4-yl)methyl]-2-naphthalen-1-ylacetamide
SMILESCOC1(CNC(=O)Cc2cccc3ccccc23)CCSCC1
InChIInChI=1S/C19H23NO2S/c1-22-19(9-11-23-12-10-19)14-20-18(21)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8H,9-14H2,1H3,(H,20,21)
InChIKeyYSCSTDYPRFRNAY-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-3-methoxythiolan-3-yl]methyl]naphthalene-1-carboxamide
CID 97414613
N-[(3-methoxythiolan-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90584326
1-[(4-methoxythian-4-yl)methyl]-3-(3-methylphenyl)urea
CID 91816850
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide
CID 71782153
N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide
CID 60653057
1-(2,3-dimethoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804947
N-(2-hydroxy-2-methylpropyl)-2-naphthalen-1-ylacetamide
CID 65110602
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
2-(7-ethyl-1H-indol-3-yl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484654
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 46424485
2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 106108050

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxythian-4-yl)methyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(4-methoxythian-4-yl)methyl]-2-naphthalen-1-ylacetamide (CID 91816762) is N-[(4-methoxythian-4-yl)methyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(4-methoxythian-4-yl)methyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(4-methoxythian-4-yl)methyl]-2-naphthalen-1-ylacetamide is COC1(CNC(=O)Cc2cccc3ccccc23)CCSCC1.
What is the InChIKey of N-[(4-methoxythian-4-yl)methyl]-2-naphthalen-1-ylacetamide?
The InChIKey is YSCSTDYPRFRNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-22-19(9-11-23-12-10-19)14-20-18(21)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8H,9-14H2,1H3,(H,20,21).
What are the key properties of N-[(4-methoxythian-4-yl)methyl]-2-naphthalen-1-ylacetamide?
N-[(4-methoxythian-4-yl)methyl]-2-naphthalen-1-ylacetamide has a molecular weight of 329.46 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxythian-4-yl)methyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 91816762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).