N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfonylamino]-2-methylpropanamide

C19H23FN2O4S — CID 100780162

IUPACN-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfonylamino]-2-methylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O4S/c1-4-26-17-11-9-16(10-12-17)21-18(23)19(2,3)22-27(24,25)13-14-5-7-15(20)8-6-14/h5-12,22H,4,13H2,1-3H3,(H,21,23)
InChIKeyLRKWKUNCNWRXKP-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.06
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfonylamino]-2-methylpropanamide

N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfonylamino]-2-methylpropanamide (PubChem CID 100780162) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfonylamino]-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfonylamino]-2-methylpropanamide
PubChem CID100780162
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC NameN-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfonylamino]-2-methylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O4S/c1-4-26-17-11-9-16(10-12-17)21-18(23)19(2,3)22-27(24,25)13-14-5-7-15(20)8-6-14/h5-12,22H,4,13H2,1-3H3,(H,21,23)
InChIKeyLRKWKUNCNWRXKP-UHFFFAOYSA-N
XLogP3.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
N-[4-(4-ethoxyphenyl)phenyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 164531783
2-[(2-chloro-5-fluorophenyl)methylsulfonylamino]-2-methyl-N-(4-prop-2-enoxyphenyl)propanamide
CID 100780234
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
N'-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
CID 113151047
N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
CID 26242416
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1013172
N-(4-ethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192445
[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 71820864
2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 22299884
N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021260

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfonylamino]-2-methylpropanamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfonylamino]-2-methylpropanamide (CID 100780162) is N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfonylamino]-2-methylpropanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfonylamino]-2-methylpropanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfonylamino]-2-methylpropanamide is CCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfonylamino]-2-methylpropanamide?
The InChIKey is LRKWKUNCNWRXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-4-26-17-11-9-16(10-12-17)21-18(23)19(2,3)22-27(24,25)13-14-5-7-15(20)8-6-14/h5-12,22H,4,13H2,1-3H3,(H,21,23).
What are the key properties of N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfonylamino]-2-methylpropanamide?
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfonylamino]-2-methylpropanamide has a molecular weight of 394.47 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfonylamino]-2-methylpropanamide is sourced from PubChem (CID 100780162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).