2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide

C18H19Cl2NO3S — CID 7466998

IUPAC2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2c(Cl)cccc2Cl)cc1OCC
InChIInChI=1S/C18H19Cl2NO3S/c1-3-23-15-9-8-12(10-16(15)24-4-2)21-17(22)11-25-18-13(19)6-5-7-14(18)20/h5-10H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyZMLAXVOQFLFITR-UHFFFAOYSA-N
MW400.33 g/mol
LogP5.52
Rot. Bonds8

About 2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide

2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide (PubChem CID 7466998) has the molecular formula C18H19Cl2NO3S and a molecular weight of 400.33 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide
PubChem CID7466998
Molecular FormulaC18H19Cl2NO3S
Molecular Weight400.33 g/mol
Exact Mass399.05
IUPAC Name2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2c(Cl)cccc2Cl)cc1OCC
InChIInChI=1S/C18H19Cl2NO3S/c1-3-23-15-9-8-12(10-16(15)24-4-2)21-17(22)11-25-18-13(19)6-5-7-14(18)20/h5-10H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyZMLAXVOQFLFITR-UHFFFAOYSA-N
XLogP5.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.33
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-diethoxyphenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8988171
N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 4797149
N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046452
N-(3,4-diethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2460546
N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021977
N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755135
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 2112863
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(3,4-diethoxyphenyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide
CID 167846360
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 9102401

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide (CID 7466998) is 2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSc2c(Cl)cccc2Cl)cc1OCC.
What is the InChIKey of 2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide?
The InChIKey is ZMLAXVOQFLFITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3S/c1-3-23-15-9-8-12(10-16(15)24-4-2)21-17(22)11-25-18-13(19)6-5-7-14(18)20/h5-10H,3-4,11H2,1-2H3,(H,21,22).
What are the key properties of 2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide?
2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide has a molecular weight of 400.33 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide is sourced from PubChem (CID 7466998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).