N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide

C17H18F2N2O4S — CID 113071835

IUPACN-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
SMILESCS(=O)(=O)N(CCNC(=O)COc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O4S/c1-26(23,24)21(16-8-7-13(18)11-15(16)19)10-9-20-17(22)12-25-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyLDQPGMPPXCFPRR-UHFFFAOYSA-N
MW384.40 g/mol
LogP1.93
Rot. Bonds8

About N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide

N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide (PubChem CID 113071835) has the molecular formula C17H18F2N2O4S and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
PubChem CID113071835
Molecular FormulaC17H18F2N2O4S
Molecular Weight384.40 g/mol
Exact Mass384.10
IUPAC NameN-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
SMILESCS(=O)(=O)N(CCNC(=O)COc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O4S/c1-26(23,24)21(16-8-7-13(18)11-15(16)19)10-9-20-17(22)12-25-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyLDQPGMPPXCFPRR-UHFFFAOYSA-N
XLogP1.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113068926
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-2-phenoxyacetamide
CID 113071299
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113070442
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide
CID 113071824
N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070386
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]-2-phenoxyacetamide
CID 113071764
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113068804
N-butyl-3-(2,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113146327
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
CID 113071817
N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113071507
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
CID 113071655
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
CID 113066570

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide (CID 113071835) is N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide is CS(=O)(=O)N(CCNC(=O)COc1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide?
The InChIKey is LDQPGMPPXCFPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4S/c1-26(23,24)21(16-8-7-13(18)11-15(16)19)10-9-20-17(22)12-25-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide?
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide has a molecular weight of 384.40 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 113071835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).