2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide

C21H27FN2O4S — CID 133165321

IUPAC2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
SMILESCC(C)c1ccccc1OCCNC(=O)C(C)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C21H27FN2O4S/c1-15(2)17-9-5-8-12-20(17)28-14-13-23-21(25)16(3)24(29(4,26)27)19-11-7-6-10-18(19)22/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)
InChIKeyAZDMVAKTZLXVDZ-UHFFFAOYSA-N
MW422.52 g/mol
LogP3.30
Rot. Bonds9

About 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide

2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide (PubChem CID 133165321) has the molecular formula C21H27FN2O4S and a molecular weight of 422.52 g/mol. Its IUPAC name is 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
PubChem CID133165321
Molecular FormulaC21H27FN2O4S
Molecular Weight422.52 g/mol
Exact Mass422.17
IUPAC Name2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
SMILESCC(C)c1ccccc1OCCNC(=O)C(C)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C21H27FN2O4S/c1-15(2)17-9-5-8-12-20(17)28-14-13-23-21(25)16(3)24(29(4,26)27)19-11-7-6-10-18(19)22/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)
InChIKeyAZDMVAKTZLXVDZ-UHFFFAOYSA-N
XLogP3.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 53.30
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-methyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
CID 133165223
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53285802
N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 53285843
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
CID 133165316
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 99131849
(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 99131913
N-[3-(4-ethoxyphenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 132666864
(2S)-N-[(4-chlorophenyl)methyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99131911
2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133234708
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide
CID 53285782
1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972279
N-(2-tert-butylsulfanylethyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 53285821

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide?
The IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide (CID 133165321) is 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide is CC(C)c1ccccc1OCCNC(=O)C(C)N(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide?
The InChIKey is AZDMVAKTZLXVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O4S/c1-15(2)17-9-5-8-12-20(17)28-14-13-23-21(25)16(3)24(29(4,26)27)19-11-7-6-10-18(19)22/h5-12,15-16H,13-14H2,1-4H3,(H,23,25).
What are the key properties of 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide?
2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide has a molecular weight of 422.52 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide is sourced from PubChem (CID 133165321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).