N-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide

C18H17Cl2NO2S2 — CID 7744134

IUPACN-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
SMILESCc1ccc(Cl)c(NC(=O)COc2ccc(C3SCCS3)cc2)c1Cl
InChIInChI=1S/C18H17Cl2NO2S2/c1-11-2-7-14(19)17(16(11)20)21-15(22)10-23-13-5-3-12(4-6-13)18-24-8-9-25-18/h2-7,18H,8-10H2,1H3,(H,21,22)
InChIKeyVJVYMPICXQIVBL-UHFFFAOYSA-N
MW414.38 g/mol
LogP5.80
Rot. Bonds5

About N-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide

N-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide (PubChem CID 7744134) has the molecular formula C18H17Cl2NO2S2 and a molecular weight of 414.38 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
PubChem CID7744134
Molecular FormulaC18H17Cl2NO2S2
Molecular Weight414.38 g/mol
Exact Mass413.01
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
SMILESCc1ccc(Cl)c(NC(=O)COc2ccc(C3SCCS3)cc2)c1Cl
InChIInChI=1S/C18H17Cl2NO2S2/c1-11-2-7-14(19)17(16(11)20)21-15(22)10-23-13-5-3-12(4-6-13)18-24-8-9-25-18/h2-7,18H,8-10H2,1H3,(H,21,22)
InChIKeyVJVYMPICXQIVBL-UHFFFAOYSA-N
XLogP5.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.38
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 7744080
N-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7788200
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide
CID 55382007
N-(2-chloro-4-methylphenyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 7602844
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-fluoro-2-methylphenyl)acetamide
CID 9428504
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791670
N-(5-chloro-2-pyridinyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55436153
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-fluoro-4-methylphenyl)acetamide
CID 60594803
N-(4-bromophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 7744117
N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 7744172
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 9428045
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(2-methoxyphenyl)acetamide
CID 17397411

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide (CID 7744134) is N-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide is Cc1ccc(Cl)c(NC(=O)COc2ccc(C3SCCS3)cc2)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide?
The InChIKey is VJVYMPICXQIVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO2S2/c1-11-2-7-14(19)17(16(11)20)21-15(22)10-23-13-5-3-12(4-6-13)18-24-8-9-25-18/h2-7,18H,8-10H2,1H3,(H,21,22).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide?
N-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide has a molecular weight of 414.38 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 7744134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).