2-[4-(1,3-dithian-2-yl)phenoxy]-N-(1-methyl-6-oxo-3-pyridinyl)acetamide

C18H20N2O3S2 — CID 71938593

IUPAC2-[4-(1,3-dithian-2-yl)phenoxy]-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
SMILESCn1cc(NC(=O)COc2ccc(C3SCCCS3)cc2)ccc1=O
InChIInChI=1S/C18H20N2O3S2/c1-20-11-14(5-8-17(20)22)19-16(21)12-23-15-6-3-13(4-7-15)18-24-9-2-10-25-18/h3-8,11,18H,2,9-10,12H2,1H3,(H,19,21)
InChIKeyCODFPPZQRFVICW-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.27
Rot. Bonds5

About 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(1-methyl-6-oxo-3-pyridinyl)acetamide

2-[4-(1,3-dithian-2-yl)phenoxy]-N-(1-methyl-6-oxo-3-pyridinyl)acetamide (PubChem CID 71938593) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(1-methyl-6-oxo-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
PubChem CID71938593
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
SMILESCn1cc(NC(=O)COc2ccc(C3SCCCS3)cc2)ccc1=O
InChIInChI=1S/C18H20N2O3S2/c1-20-11-14(5-8-17(20)22)19-16(21)12-23-15-6-3-13(4-7-15)18-24-9-2-10-25-18/h3-8,11,18H,2,9-10,12H2,1H3,(H,19,21)
InChIKeyCODFPPZQRFVICW-UHFFFAOYSA-N
XLogP3.27
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 7603238
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-fluoro-4-methylphenyl)acetamide
CID 60594803
[2-(4-methylanilino)-2-oxoethyl] 2-[4-(1,3-dithian-2-yl)phenoxy]acetate
CID 55385627
N-(4-bromophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 7744117
(2R)-2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]propanoic acid
CID 75429449
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519416
2-(dimethylamino)-N-[5-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-2-methylphenyl]acetamide
CID 166394653
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
CID 55382041
N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55382021
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide
CID 55382007
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-sulfamoylphenyl)acetamide
CID 34752593
N-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55436153

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(1-methyl-6-oxo-3-pyridinyl)acetamide?
The IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(1-methyl-6-oxo-3-pyridinyl)acetamide (CID 71938593) is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(1-methyl-6-oxo-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(1-methyl-6-oxo-3-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(1-methyl-6-oxo-3-pyridinyl)acetamide is Cn1cc(NC(=O)COc2ccc(C3SCCCS3)cc2)ccc1=O.
What is the InChIKey of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(1-methyl-6-oxo-3-pyridinyl)acetamide?
The InChIKey is CODFPPZQRFVICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-20-11-14(5-8-17(20)22)19-16(21)12-23-15-6-3-13(4-7-15)18-24-9-2-10-25-18/h3-8,11,18H,2,9-10,12H2,1H3,(H,19,21).
What are the key properties of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(1-methyl-6-oxo-3-pyridinyl)acetamide?
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(1-methyl-6-oxo-3-pyridinyl)acetamide has a molecular weight of 376.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(1-methyl-6-oxo-3-pyridinyl)acetamide is sourced from PubChem (CID 71938593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).