N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C20H30ClN3O3S — CID 55337236

IUPACN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCCN(CC)C(CNC(=O)CSCC(=O)N1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C20H30ClN3O3S/c1-3-23(4-2)18(16-7-5-6-8-17(16)21)13-22-19(25)14-28-15-20(26)24-9-11-27-12-10-24/h5-8,18H,3-4,9-15H2,1-2H3,(H,22,25)
InChIKeyAGRTUNQNWOYUCT-UHFFFAOYSA-N
MW428.00 g/mol
LogP2.43
Rot. Bonds10

About N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 55337236) has the molecular formula C20H30ClN3O3S and a molecular weight of 428.00 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID55337236
Molecular FormulaC20H30ClN3O3S
Molecular Weight428.00 g/mol
Exact Mass427.17
IUPAC NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCCN(CC)C(CNC(=O)CSCC(=O)N1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C20H30ClN3O3S/c1-3-23(4-2)18(16-7-5-6-8-17(16)21)13-22-19(25)14-28-15-20(26)24-9-11-27-12-10-24/h5-8,18H,3-4,9-15H2,1-2H3,(H,22,25)
InChIKeyAGRTUNQNWOYUCT-UHFFFAOYSA-N
XLogP2.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.00
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Chlorophenyl)-2-(morpholin-4-yl)ethylamine
CID 3847395
N-(4-chlorobenzyl)-N'-[3-(4-morpholinyl)propyl]ethanediamide
CID 2172999
N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide
CID 2697528
2-chloro-N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 25161959
N-({1-[(4-Chlorophenyl)methyl]-3-(dimethylamino)piperidin-4-YL}methyl)-2-methoxyacetamide
CID 91920949
2-({[(2-Chlorophenyl)methyl](cyclopentyl)carbamothioyl}amino)-N-[2-(morpholin-4-YL)ethyl]acetamide
CID 16193386
2-(4-Chlorophenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one
CID 24001542
4-Morpholineacetamide, N-(p-chlorobenzyl)-alpha-methyl-, monohydrochloride
CID 121409
N'-[(2-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 1919454
N-[(2-chlorophenyl)methyl]-2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]acetamide
CID 4878610
N1-(2-chlorobenzyl)-N2-(2-(4-fluorophenyl)-2-morpholinoethyl)oxalamide
CID 18589283
2-[2-[1-(2-Chlorophenyl)ethyl-cyclopropylamino]-2-oxoethyl]sulfanylacetamide
CID 72009875

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 55337236) is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is CCN(CC)C(CNC(=O)CSCC(=O)N1CCOCC1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is AGRTUNQNWOYUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O3S/c1-3-23(4-2)18(16-7-5-6-8-17(16)21)13-22-19(25)14-28-15-20(26)24-9-11-27-12-10-24/h5-8,18H,3-4,9-15H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 428.00 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 55337236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).