N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide

C13H17NO2S2 — CID 32967833

IUPACN-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(C2SCCCS2)c1
InChIInChI=1S/C13H17NO2S2/c1-16-9-12(15)14-11-5-2-4-10(8-11)13-17-6-3-7-18-13/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,14,15)
InChIKeyKJDKJVGBGARAJW-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.14
Rot. Bonds4

About N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide

N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide (PubChem CID 32967833) has the molecular formula C13H17NO2S2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide
PubChem CID32967833
Molecular FormulaC13H17NO2S2
Molecular Weight283.42 g/mol
Exact Mass283.07
IUPAC NameN-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(C2SCCCS2)c1
InChIInChI=1S/C13H17NO2S2/c1-16-9-12(15)14-11-5-2-4-10(8-11)13-17-6-3-7-18-13/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,14,15)
InChIKeyKJDKJVGBGARAJW-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-dithian-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 27843194
N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 27843051
N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide
CID 35368286
1-[3-(1,3-dithian-2-yl)phenyl]-3-(2-methoxyethyl)thiourea
CID 71901881
2-cyclopentyl-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
CID 78811101
2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 38797742
2-amino-N-[3-(1,3-dithiolan-2-yl)phenyl]-3-methoxypropanamide;hydrochloride
CID 120983933
N-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 27842838
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 27843163
3-amino-N-[3-(1,3-dithiolan-2-yl)phenyl]butanamide;hydrochloride
CID 119692147
3-(3,4-difluorophenyl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide
CID 46576054
N-[3-(1,3-dithiolan-2-yl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 26380529

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide (CID 32967833) is N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide is COCC(=O)Nc1cccc(C2SCCCS2)c1.
What is the InChIKey of N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide?
The InChIKey is KJDKJVGBGARAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S2/c1-16-9-12(15)14-11-5-2-4-10(8-11)13-17-6-3-7-18-13/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,14,15).
What are the key properties of N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide?
N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide has a molecular weight of 283.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide is sourced from PubChem (CID 32967833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).