N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide

C16H15Cl2NO3S — CID 38016758

IUPACN-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2c(Cl)cccc2Cl)cc1OC
InChIInChI=1S/C16H15Cl2NO3S/c1-21-13-7-6-10(8-14(13)22-2)23-9-15(20)19-16-11(17)4-3-5-12(16)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyIKEQLNXGIOKVDM-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.74
Rot. Bonds6

About N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide

N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide (PubChem CID 38016758) has the molecular formula C16H15Cl2NO3S and a molecular weight of 372.27 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide
PubChem CID38016758
Molecular FormulaC16H15Cl2NO3S
Molecular Weight372.27 g/mol
Exact Mass371.01
IUPAC NameN-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2c(Cl)cccc2Cl)cc1OC
InChIInChI=1S/C16H15Cl2NO3S/c1-21-13-7-6-10(8-14(13)22-2)23-9-15(20)19-16-11(17)4-3-5-12(16)18/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyIKEQLNXGIOKVDM-UHFFFAOYSA-N
XLogP4.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 46769269
2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 28633130
N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide
CID 963352
1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 91880247
2-(4-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43299333
2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 28635923
N-[4-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 23099178
ethyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]benzoate
CID 38012801
N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110301025
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
[2-(2,6-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698907
2-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 60594383

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide (CID 38016758) is N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)Nc2c(Cl)cccc2Cl)cc1OC.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide?
The InChIKey is IKEQLNXGIOKVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3S/c1-21-13-7-6-10(8-14(13)22-2)23-9-15(20)19-16-11(17)4-3-5-12(16)18/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide?
N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide has a molecular weight of 372.27 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 38016758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).