2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

C20H23ClN2O3S — CID 24980509

IUPAC2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSCC(=O)N(C)CCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H23ClN2O3S/c1-15-4-3-5-17(12-15)22-19(24)13-27-14-20(25)23(2)10-11-26-18-8-6-16(21)7-9-18/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,24)
InChIKeyOXRFFAYXVKIXJT-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.86
Rot. Bonds9

About 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide

2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 24980509) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID24980509
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSCC(=O)N(C)CCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H23ClN2O3S/c1-15-4-3-5-17(12-15)22-19(24)13-27-14-20(25)23(2)10-11-26-18-8-6-16(21)7-9-18/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,24)
InChIKeyOXRFFAYXVKIXJT-UHFFFAOYSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N1-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 2744126
2-(4-chlorophenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 4800881
N-[2-(4-chlorophenoxy)ethyl]-N'-(2,4-dimethylphenyl)ethanediamide
CID 2173045
N-[2-(4-Chloro-benzylsulfanyl)-ethyl]-2-[(4-ethoxy-phenyl)-methanesulfonyl-amino]-acetamide
CID 2262330
N-[2-(2-chlorophenoxy)ethyl]-N'-(4-methylphenyl)ethanediamide
CID 2291924
N-(5-Chloro-2-methoxyphenyl)-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-YL)sulfanyl]acetamide
CID 16008559
2-(4-chlorophenoxy)-N-[4-(dimethylamino)benzyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 16014263
2-(4-Chlorophenoxy)-N-{2-[4-(dimethylamino)phenyl]-2-(morpholin-4-YL)ethyl}acetamide
CID 16028229
N-(2-chlorobenzyl)-2-((4-(2-methoxyphenyl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)acetamide
CID 18579496
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]acetamide
CID 24980498
2-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 25161793
2-(4-chloro-2-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 979210

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide (CID 24980509) is 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSCC(=O)N(C)CCOc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is OXRFFAYXVKIXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-15-4-3-5-17(12-15)22-19(24)13-27-14-20(25)23(2)10-11-26-18-8-6-16(21)7-9-18/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,24).
What are the key properties of 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide?
2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 406.94 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 24980509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).