2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide

C20H23NO2S2 — CID 2744127

IUPAC2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1
InChIInChI=1S/C20H23NO2S2/c1-14(2)15-3-7-17(8-4-15)21-19(22)13-23-18-9-5-16(6-10-18)20-24-11-12-25-20/h3-10,14,20H,11-13H2,1-2H3,(H,21,22)
InChIKeyVGKUBQPCYTUYTO-UHFFFAOYSA-N
MW373.54 g/mol
LogP5.31
Rot. Bonds6

About 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide

2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 2744127) has the molecular formula C20H23NO2S2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID2744127
Molecular FormulaC20H23NO2S2
Molecular Weight373.54 g/mol
Exact Mass373.12
IUPAC Name2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1
InChIInChI=1S/C20H23NO2S2/c1-14(2)15-3-7-17(8-4-15)21-19(22)13-23-18-9-5-16(6-10-18)20-24-11-12-25-20/h3-10,14,20H,11-13H2,1-2H3,(H,21,22)
InChIKeyVGKUBQPCYTUYTO-UHFFFAOYSA-N
XLogP5.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N1-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 2744126
N-(4-methylphenyl)-2-phenoxyacetamide
CID 689977
N-(4-Isopropyl-phenyl)-2-phenoxy-acetamide
CID 690069
N-(2-methoxy-5-methylphenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 880073
N-(4-acetamidophenyl)-2-(4-phenylphenoxy)acetamide
CID 1015551
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-(4-methoxyphenyl)-2-(4-methylphenoxy)acetamide
CID 681892
N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-methylphenoxy)acetamide
CID 662327
N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-phenoxyacetamide
CID 663101
N-2-biphenylyl-2-(4-methylphenoxy)acetamide
CID 879338
N-(3-ethylphenyl)-2-phenoxyacetamide
CID 898185
2-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 1048414

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide (CID 2744127) is 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1.
What is the InChIKey of 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is VGKUBQPCYTUYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S2/c1-14(2)15-3-7-17(8-4-15)21-19(22)13-23-18-9-5-16(6-10-18)20-24-11-12-25-20/h3-10,14,20H,11-13H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide?
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 373.54 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 2744127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).