2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide

C19H23FN2O4S — CID 133229509

IUPAC2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide
SMILESCCC(C(=O)NCCOc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O4S/c1-3-18(19(23)21-13-14-26-17-7-5-4-6-8-17)22(27(2,24)25)16-11-9-15(20)10-12-16/h4-12,18H,3,13-14H2,1-2H3,(H,21,23)
InChIKeyCLZRNHUGZGUSNF-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.57
Rot. Bonds9

About 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide

2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide (PubChem CID 133229509) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide.

Molecular Properties

Compound Name2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide
PubChem CID133229509
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide
SMILESCCC(C(=O)NCCOc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O4S/c1-3-18(19(23)21-13-14-26-17-7-5-4-6-8-17)22(27(2,24)25)16-11-9-15(20)10-12-16/h4-12,18H,3,13-14H2,1-2H3,(H,21,23)
InChIKeyCLZRNHUGZGUSNF-UHFFFAOYSA-N
XLogP2.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.57
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-naphthalen-2-yloxyethyl)butanamide
CID 133231241
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)butanamide
CID 133229519
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 133229418
2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 133185303
N-(3-ethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 53284207
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 133229475
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133252110
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenoxyethyl)propanamide
CID 125057294
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 133229474
(2S)-N-(2-ethylsulfanylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 30390281
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-phenoxyethyl)butanamide?
The IUPAC name of 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide (CID 133229509) is 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide.
What is the SMILES notation for 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide?
The canonical SMILES for 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide is CCC(C(=O)NCCOc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide?
The InChIKey is CLZRNHUGZGUSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-3-18(19(23)21-13-14-26-17-7-5-4-6-8-17)22(27(2,24)25)16-11-9-15(20)10-12-16/h4-12,18H,3,13-14H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide?
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide has a molecular weight of 394.47 g/mol, XLogP of 2.57, 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-phenoxyethyl)butanamide is sourced from PubChem (CID 133229509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).