N-[4-(dimethylamino)phenyl]-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide

C18H22FN3O4S — CID 110407155

IUPACN-[4-(dimethylamino)phenyl]-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide
SMILESCN(C)c1ccc(NC(=O)CNS(=O)(=O)CCOc2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FN3O4S/c1-22(2)16-7-5-15(6-8-16)21-18(23)13-20-27(24,25)12-11-26-17-9-3-14(19)4-10-17/h3-10,20H,11-13H2,1-2H3,(H,21,23)
InChIKeyDXPGUDJIXDKRIH-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.83
Rot. Bonds9

About N-[4-(dimethylamino)phenyl]-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide

N-[4-(dimethylamino)phenyl]-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide (PubChem CID 110407155) has the molecular formula C18H22FN3O4S and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide
PubChem CID110407155
Molecular FormulaC18H22FN3O4S
Molecular Weight395.46 g/mol
Exact Mass395.13
IUPAC NameN-[4-(dimethylamino)phenyl]-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide
SMILESCN(C)c1ccc(NC(=O)CNS(=O)(=O)CCOc2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FN3O4S/c1-22(2)16-7-5-15(6-8-16)21-18(23)13-20-27(24,25)12-11-26-17-9-3-14(19)4-10-17/h3-10,20H,11-13H2,1-2H3,(H,21,23)
InChIKeyDXPGUDJIXDKRIH-UHFFFAOYSA-N
XLogP1.83
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide
CID 110305340
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide
CID 110678384
2-(4-fluoroanilino)-N-(4-propoxyphenyl)acetamide
CID 54811098
N-[4-(diethylamino)phenyl]-2-(propylsulfonylamino)acetamide
CID 113000142
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide
CID 32945767
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005234
N-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 110407309
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407286
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
[2-(4-fluoroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519427
2-[4-(2-ethoxyethoxy)phenoxy]-N-(4-fluorophenyl)acetamide
CID 4732952

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide (CID 110407155) is N-[4-(dimethylamino)phenyl]-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide is CN(C)c1ccc(NC(=O)CNS(=O)(=O)CCOc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide?
The InChIKey is DXPGUDJIXDKRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4S/c1-22(2)16-7-5-15(6-8-16)21-18(23)13-20-27(24,25)12-11-26-17-9-3-14(19)4-10-17/h3-10,20H,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide?
N-[4-(dimethylamino)phenyl]-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide has a molecular weight of 395.46 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-[2-(4-fluorophenoxy)ethylsulfonylamino]acetamide is sourced from PubChem (CID 110407155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).