N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide

C20H26FN3O6S2 — CID 133240541

IUPACN-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C20H26FN3O6S2/c1-15(24(31(4,26)27)17-7-5-6-16(21)14-17)20(25)22-12-13-30-18-8-10-19(11-9-18)32(28,29)23(2)3/h5-11,14-15H,12-13H2,1-4H3,(H,22,25)
InChIKeySKNYSWCFPVWBCY-UHFFFAOYSA-N
MW487.58 g/mol
LogP1.43
Rot. Bonds10

About N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide

N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 133240541) has the molecular formula C20H26FN3O6S2 and a molecular weight of 487.58 g/mol. Its IUPAC name is N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID133240541
Molecular FormulaC20H26FN3O6S2
Molecular Weight487.58 g/mol
Exact Mass487.12
IUPAC NameN-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C20H26FN3O6S2/c1-15(24(31(4,26)27)17-7-5-6-16(21)14-17)20(25)22-12-13-30-18-8-10-19(11-9-18)32(28,29)23(2)3/h5-11,14-15H,12-13H2,1-4H3,(H,22,25)
InChIKeySKNYSWCFPVWBCY-UHFFFAOYSA-N
XLogP1.43
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 133185303
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240470
2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 132663175
2-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133244711
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 125079417
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133185268
2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 53288409
2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 132663633
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenoxyethyl)propanamide
CID 125057294
2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53288479
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240550
N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288205

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide (CID 133240541) is N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide is CC(C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1)N(c1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is SKNYSWCFPVWBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O6S2/c1-15(24(31(4,26)27)17-7-5-6-16(21)14-17)20(25)22-12-13-30-18-8-10-19(11-9-18)32(28,29)23(2)3/h5-11,14-15H,12-13H2,1-4H3,(H,22,25).
What are the key properties of N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 487.58 g/mol, XLogP of 1.43, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 133240541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).