2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide

C23H25FN2O4S — CID 133231241

IUPAC2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide
SMILESCCC(C(=O)NCCOc1ccc2ccccc2c1)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C23H25FN2O4S/c1-3-22(26(31(2,28)29)20-11-9-19(24)10-12-20)23(27)25-14-15-30-21-13-8-17-6-4-5-7-18(17)16-21/h4-13,16,22H,3,14-15H2,1-2H3,(H,25,27)
InChIKeyYEVLZDDBNPHPPX-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.72
Rot. Bonds9

About 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide

2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide (PubChem CID 133231241) has the molecular formula C23H25FN2O4S and a molecular weight of 444.53 g/mol. Its IUPAC name is 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide.

Molecular Properties

Compound Name2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide
PubChem CID133231241
Molecular FormulaC23H25FN2O4S
Molecular Weight444.53 g/mol
Exact Mass444.15
IUPAC Name2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide
SMILESCCC(C(=O)NCCOc1ccc2ccccc2c1)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C23H25FN2O4S/c1-3-22(26(31(2,28)29)20-11-9-19(24)10-12-20)23(27)25-14-15-30-21-13-8-17-6-4-5-7-18(17)16-21/h4-13,16,22H,3,14-15H2,1-2H3,(H,25,27)
InChIKeyYEVLZDDBNPHPPX-UHFFFAOYSA-N
XLogP3.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluoro-N-methylsulfonylanilino)-N-[2-(4-fluorophenoxy)ethyl]butanamide
CID 133229529
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide
CID 133229509
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 133252048
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 133229474
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)butanamide
CID 133229519
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 133229418
N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133240085
N-(3-ethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 53284207
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133252110
2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 133185303
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 133229475
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(4-ethylphenoxy)ethyl]butanamide
CID 133229549

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide?
The IUPAC name of 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide (CID 133231241) is 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide.
What is the SMILES notation for 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide?
The canonical SMILES for 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide is CCC(C(=O)NCCOc1ccc2ccccc2c1)N(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide?
The InChIKey is YEVLZDDBNPHPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O4S/c1-3-22(26(31(2,28)29)20-11-9-19(24)10-12-20)23(27)25-14-15-30-21-13-8-17-6-4-5-7-18(17)16-21/h4-13,16,22H,3,14-15H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide?
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide has a molecular weight of 444.53 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)butanamide is sourced from PubChem (CID 133231241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).