N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide

C19H23FN2O3S — CID 113069197

IUPACN-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCCc1ccccc1N(CCNC(=O)Cc1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O3S/c1-3-16-8-4-5-10-18(16)22(26(2,24)25)12-11-21-19(23)14-15-7-6-9-17(20)13-15/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,23)
InChIKeyFUQKMWXHVXOXMS-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.51
Rot. Bonds8

About N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide

N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 113069197) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID113069197
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCCc1ccccc1N(CCNC(=O)Cc1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O3S/c1-3-16-8-4-5-10-18(16)22(26(2,24)25)12-11-21-19(23)14-15-7-6-9-17(20)13-15/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,23)
InChIKeyFUQKMWXHVXOXMS-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113068872
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113072438
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069067
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069002
2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide
CID 113069165
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065386
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113069155
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113071662
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069169
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113069117
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113067077
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113057339

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide (CID 113069197) is N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide is CCc1ccccc1N(CCNC(=O)Cc1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is FUQKMWXHVXOXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-3-16-8-4-5-10-18(16)22(26(2,24)25)12-11-21-19(23)14-15-7-6-9-17(20)13-15/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide?
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 378.47 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113069197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).