N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide

C19H22ClFN2OS — CID 24638684

IUPACN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
SMILESCN(C)C(CNC(=O)CSCc1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C19H22ClFN2OS/c1-23(2)18(16-5-3-4-6-17(16)20)11-22-19(24)13-25-12-14-7-9-15(21)10-8-14/h3-10,18H,11-13H2,1-2H3,(H,22,24)
InChIKeyZKAAELLXNRMJNL-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.13
Rot. Bonds8

About N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 24638684) has the molecular formula C19H22ClFN2OS and a molecular weight of 380.92 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
PubChem CID24638684
Molecular FormulaC19H22ClFN2OS
Molecular Weight380.92 g/mol
Exact Mass380.11
IUPAC NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
SMILESCN(C)C(CNC(=O)CSCc1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C19H22ClFN2OS/c1-23(2)18(16-5-3-4-6-17(16)20)11-22-19(24)13-25-12-14-7-9-15(21)10-8-14/h3-10,18H,11-13H2,1-2H3,(H,22,24)
InChIKeyZKAAELLXNRMJNL-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-3-methylbutanoic acid
CID 81063431
2-(2-bromo-4-fluorophenoxy)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide
CID 42890728
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 51654214
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55786869
N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 5045191
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55407178
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]acetamide
CID 112767461
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 55407153
3-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]propanoic acid
CID 43092403
2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109835
7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride
CID 119832233
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8916173

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide (CID 24638684) is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide is CN(C)C(CNC(=O)CSCc1ccc(F)cc1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is ZKAAELLXNRMJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2OS/c1-23(2)18(16-5-3-4-6-17(16)20)11-22-19(24)13-25-12-14-7-9-15(21)10-8-14/h3-10,18H,11-13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 380.92 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 24638684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).