N-(5-chloro-2-methoxyphenyl)-2-[2-(2,5-dichlorophenyl)sulfinylethyl-methylamino]acetamide

C18H19Cl3N2O3S — CID 86969395

IUPACN-(5-chloro-2-methoxyphenyl)-2-[2-(2,5-dichlorophenyl)sulfinylethyl-methylamino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CCS(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H19Cl3N2O3S/c1-23(7-8-27(25)17-10-13(20)3-5-14(17)21)11-18(24)22-15-9-12(19)4-6-16(15)26-2/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,24)
InChIKeyUUUVUWFQPXKZEJ-UHFFFAOYSA-N
MW449.79 g/mol
LogP4.33
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-[2-(2,5-dichlorophenyl)sulfinylethyl-methylamino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[2-(2,5-dichlorophenyl)sulfinylethyl-methylamino]acetamide (PubChem CID 86969395) has the molecular formula C18H19Cl3N2O3S and a molecular weight of 449.79 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[2-(2,5-dichlorophenyl)sulfinylethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[2-(2,5-dichlorophenyl)sulfinylethyl-methylamino]acetamide
PubChem CID86969395
Molecular FormulaC18H19Cl3N2O3S
Molecular Weight449.79 g/mol
Exact Mass448.02
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[2-(2,5-dichlorophenyl)sulfinylethyl-methylamino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CCS(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H19Cl3N2O3S/c1-23(7-8-27(25)17-10-13(20)3-5-14(17)21)11-18(24)22-15-9-12(19)4-6-16(15)26-2/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,24)
InChIKeyUUUVUWFQPXKZEJ-UHFFFAOYSA-N
XLogP4.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.79
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide
CID 60561036
2-[(2-amino-2-methylpropyl)-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 120847420
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 27245125
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2699433
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 52679751
N-(5-chloro-2-methoxyphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550831
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222409
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
N-(5-chloro-2-methoxyphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 119929559
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9222402

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[2-(2,5-dichlorophenyl)sulfinylethyl-methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[2-(2,5-dichlorophenyl)sulfinylethyl-methylamino]acetamide (CID 86969395) is N-(5-chloro-2-methoxyphenyl)-2-[2-(2,5-dichlorophenyl)sulfinylethyl-methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[2-(2,5-dichlorophenyl)sulfinylethyl-methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[2-(2,5-dichlorophenyl)sulfinylethyl-methylamino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)CCS(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[2-(2,5-dichlorophenyl)sulfinylethyl-methylamino]acetamide?
The InChIKey is UUUVUWFQPXKZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl3N2O3S/c1-23(7-8-27(25)17-10-13(20)3-5-14(17)21)11-18(24)22-15-9-12(19)4-6-16(15)26-2/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[2-(2,5-dichlorophenyl)sulfinylethyl-methylamino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[2-(2,5-dichlorophenyl)sulfinylethyl-methylamino]acetamide has a molecular weight of 449.79 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[2-(2,5-dichlorophenyl)sulfinylethyl-methylamino]acetamide is sourced from PubChem (CID 86969395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).