N-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide

C18H20ClFN2O4S — CID 27446833

IUPACN-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20ClFN2O4S/c1-21(10-11-26-16-5-3-4-14(19)12-16)18(23)13-22(2)27(24,25)17-8-6-15(20)7-9-17/h3-9,12H,10-11,13H2,1-2H3
InChIKeyQDONOBQLWWVGIW-UHFFFAOYSA-N
MW414.89 g/mol
LogP2.64
Rot. Bonds8

About N-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide

N-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 27446833) has the molecular formula C18H20ClFN2O4S and a molecular weight of 414.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID27446833
Molecular FormulaC18H20ClFN2O4S
Molecular Weight414.89 g/mol
Exact Mass414.08
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20ClFN2O4S/c1-21(10-11-26-16-5-3-4-14(19)12-16)18(23)13-22(2)27(24,25)17-8-6-15(20)7-9-17/h3-9,12H,10-11,13H2,1-2H3
InChIKeyQDONOBQLWWVGIW-UHFFFAOYSA-N
XLogP2.64
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 26960625
N-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 46591314
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33321730
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 82011724
N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 46588668
3-chloro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 31643505
2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 55431133
3-[3-[(4-chlorophenyl)sulfonyl-methylamino]propoxy]benzoic acid
CID 14917015
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide
CID 33172341
methyl 2-[2-(3-chlorophenoxy)ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62954669

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide (CID 27446833) is N-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide is CN(CCOc1cccc(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is QDONOBQLWWVGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O4S/c1-21(10-11-26-16-5-3-4-14(19)12-16)18(23)13-22(2)27(24,25)17-8-6-15(20)7-9-17/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide?
N-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 414.89 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 27446833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).