N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide

C18H19Cl2FN2O3S — CID 46588668

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19Cl2FN2O3S/c1-12(16-9-4-13(19)10-17(16)20)23(3)18(24)11-22(2)27(25,26)15-7-5-14(21)6-8-15/h4-10,12H,11H2,1-3H3
InChIKeyUQGQBXUIKNRMEL-UHFFFAOYSA-N
MW433.33 g/mol
LogP3.97
Rot. Bonds6

About N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide

N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 46588668) has the molecular formula C18H19Cl2FN2O3S and a molecular weight of 433.33 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID46588668
Molecular FormulaC18H19Cl2FN2O3S
Molecular Weight433.33 g/mol
Exact Mass432.05
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19Cl2FN2O3S/c1-12(16-9-4-13(19)10-17(16)20)23(3)18(24)11-22(2)27(25,26)15-7-5-14(21)6-8-15/h4-10,12H,11H2,1-3H3
InChIKeyUQGQBXUIKNRMEL-UHFFFAOYSA-N
XLogP3.97
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 46591314
N-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 27446833
2-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132677564
5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62963870
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038
N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide
CID 86992770
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949740
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide
CID 55602011
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 55675546
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide
CID 54870634
(2R)-N-[(2S)-butan-2-yl]-2-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 100574220
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 1330087

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide (CID 46588668) is N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide is CC(c1ccc(Cl)cc1Cl)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is UQGQBXUIKNRMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2FN2O3S/c1-12(16-9-4-13(19)10-17(16)20)23(3)18(24)11-22(2)27(25,26)15-7-5-14(21)6-8-15/h4-10,12H,11H2,1-3H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide?
N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 433.33 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 46588668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).