N-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide

C17H16ClNO2S2 — CID 9032046

IUPACN-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccccc1C1SCCS1)Nc1ccccc1Cl
InChIInChI=1S/C17H16ClNO2S2/c18-13-6-2-3-7-14(13)19-16(20)11-21-15-8-4-1-5-12(15)17-22-9-10-23-17/h1-8,17H,9-11H2,(H,19,20)
InChIKeyXARGFPJGRJMKDS-UHFFFAOYSA-N
MW365.91 g/mol
LogP4.84
Rot. Bonds5

About N-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide

N-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide (PubChem CID 9032046) has the molecular formula C17H16ClNO2S2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
PubChem CID9032046
Molecular FormulaC17H16ClNO2S2
Molecular Weight365.91 g/mol
Exact Mass365.03
IUPAC NameN-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccccc1C1SCCS1)Nc1ccccc1Cl
InChIInChI=1S/C17H16ClNO2S2/c18-13-6-2-3-7-14(13)19-16(20)11-21-15-8-4-1-5-12(15)17-22-9-10-23-17/h1-8,17H,9-11H2,(H,19,20)
InChIKeyXARGFPJGRJMKDS-UHFFFAOYSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 24536657
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide
CID 17393269
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide
CID 9207552
2-[2-(2-chloroanilino)-2-oxoethoxy]benzamide
CID 3481891
2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 24673621
N-(2-chlorophenyl)-2-(2-trimethylsilyloxyphenoxy)acetamide
CID 91696728
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]acetamide
CID 9184223
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3394735
N-(2-chlorophenyl)-2-(2,4-difluorophenoxy)acetamide
CID 31854987
N-(2-chlorophenyl)-2-[2-[(7R)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenoxy]acetamide
CID 137129435

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide (CID 9032046) is N-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide is O=C(COc1ccccc1C1SCCS1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide?
The InChIKey is XARGFPJGRJMKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2S2/c18-13-6-2-3-7-14(13)19-16(20)11-21-15-8-4-1-5-12(15)17-22-9-10-23-17/h1-8,17H,9-11H2,(H,19,20).
What are the key properties of N-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide?
N-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide has a molecular weight of 365.91 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 9032046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).