3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide

C18H18N2O3S2 — CID 17393269

IUPAC3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)COc2ccccc2C2SCCS2)c1
InChIInChI=1S/C18H18N2O3S2/c19-17(22)12-4-3-5-13(10-12)20-16(21)11-23-15-7-2-1-6-14(15)18-24-8-9-25-18/h1-7,10,18H,8-9,11H2,(H2,19,22)(H,20,21)
InChIKeyBTZQWXIIVWOWHY-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.28
Rot. Bonds6

About 3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide

3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide (PubChem CID 17393269) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide
PubChem CID17393269
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC Name3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)COc2ccccc2C2SCCS2)c1
InChIInChI=1S/C18H18N2O3S2/c19-17(22)12-4-3-5-13(10-12)20-16(21)11-23-15-7-2-1-6-14(15)18-24-8-9-25-18/h1-7,10,18H,8-9,11H2,(H2,19,22)(H,20,21)
InChIKeyBTZQWXIIVWOWHY-UHFFFAOYSA-N
XLogP3.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 24536657
3-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 51152953
3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 78779251
[2-(4-methylanilino)-2-oxoethyl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate
CID 9063344
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide
CID 26160442
2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide
CID 9224868
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 25431218
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 16618761
4-[[2-(2-iodophenoxy)acetyl]amino]benzamide
CID 38878336
N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9277080
3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide
CID 26160615

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide?
The IUPAC name of 3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide (CID 17393269) is 3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide is NC(=O)c1cccc(NC(=O)COc2ccccc2C2SCCS2)c1.
What is the InChIKey of 3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide?
The InChIKey is BTZQWXIIVWOWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c19-17(22)12-4-3-5-13(10-12)20-16(21)11-23-15-7-2-1-6-14(15)18-24-8-9-25-18/h1-7,10,18H,8-9,11H2,(H2,19,22)(H,20,21).
What are the key properties of 3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide?
3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide has a molecular weight of 374.49 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide is sourced from PubChem (CID 17393269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).