N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide

C18H21FN2O5S — CID 113071507

IUPACN-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCN(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C18H21FN2O5S/c1-25-16-8-3-4-9-17(16)26-13-18(22)20-10-11-21(27(2,23)24)15-7-5-6-14(19)12-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyYEOKRZVLUSVCKX-UHFFFAOYSA-N
MW396.44 g/mol
LogP1.80
Rot. Bonds9

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

N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 113071507) has the molecular formula C18H21FN2O5S and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID113071507
Molecular FormulaC18H21FN2O5S
Molecular Weight396.44 g/mol
Exact Mass396.12
IUPAC NameN-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCN(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C18H21FN2O5S/c1-25-16-8-3-4-9-17(16)26-13-18(22)20-10-11-21(27(2,23)24)15-7-5-6-14(19)12-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyYEOKRZVLUSVCKX-UHFFFAOYSA-N
XLogP1.80
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethoxybenzamide
CID 113071490
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113070442
3-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113145922
2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide
CID 113070438
3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 108542879
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070449
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113059329
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113068926
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113071835
N-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 51101643
N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070386
N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 113145992

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide (CID 113071507) is N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCCN(c1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is YEOKRZVLUSVCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O5S/c1-25-16-8-3-4-9-17(16)26-13-18(22)20-10-11-21(27(2,23)24)15-7-5-6-14(19)12-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide?
N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 396.44 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 113071507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).