N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide

C18H21FN2O4S — CID 113151047

IUPACN-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O4S/c1-3-25-17-10-8-16(9-11-17)20-18(22)13-21(26(2,23)24)12-14-4-6-15(19)7-5-14/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyBXUWIQGFWBLRRE-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.62
Rot. Bonds8

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

N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 113151047) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
PubChem CID113151047
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC NameN-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O4S/c1-3-25-17-10-8-16(9-11-17)20-18(22)13-21(26(2,23)24)12-14-4-6-15(19)7-5-14/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyBXUWIQGFWBLRRE-UHFFFAOYSA-N
XLogP2.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126063548
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150734
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147567
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99967521
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-ethoxyphenyl)acetamide
CID 2173217
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 113150992
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 23792597
4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
CID 53286936
2-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 31214668
N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173441

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide (CID 113151047) is N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide is CCOc1ccc(NC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is BXUWIQGFWBLRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-3-25-17-10-8-16(9-11-17)20-18(22)13-21(26(2,23)24)12-14-4-6-15(19)7-5-14/h4-11H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 380.44 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113151047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).