2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide

C20H25FN2O4S — CID 132663175

IUPAC2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
SMILESCc1ccc(OCC(C)NC(=O)C(C)N(c2cccc(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25FN2O4S/c1-14-8-10-19(11-9-14)27-13-15(2)22-20(24)16(3)23(28(4,25)26)18-7-5-6-17(21)12-18/h5-12,15-16H,13H2,1-4H3,(H,22,24)
InChIKeyJKHMVHZVIUNCCE-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.87
Rot. Bonds8

About 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide

2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide (PubChem CID 132663175) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
PubChem CID132663175
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC Name2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
SMILESCc1ccc(OCC(C)NC(=O)C(C)N(c2cccc(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25FN2O4S/c1-14-8-10-19(11-9-14)27-13-15(2)22-20(24)16(3)23(28(4,25)26)18-7-5-6-17(21)12-18/h5-12,15-16H,13H2,1-4H3,(H,22,24)
InChIKeyJKHMVHZVIUNCCE-UHFFFAOYSA-N
XLogP2.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 132670775
N-butan-2-yl-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288474
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2S)-1-phenoxypropan-2-yl]propanamide
CID 125052446
(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 125044271
(2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 125076618
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132793
(2R)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 99132688
(2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 99132773
2-(3-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 132663633
2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132670809
2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 132670203
2-(4-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 132663180

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide?
The IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide (CID 132663175) is 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide.
What is the SMILES notation for 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide?
The canonical SMILES for 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide is Cc1ccc(OCC(C)NC(=O)C(C)N(c2cccc(F)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide?
The InChIKey is JKHMVHZVIUNCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-14-8-10-19(11-9-14)27-13-15(2)22-20(24)16(3)23(28(4,25)26)18-7-5-6-17(21)12-18/h5-12,15-16H,13H2,1-4H3,(H,22,24).
What are the key properties of 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide?
2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide has a molecular weight of 408.50 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide is sourced from PubChem (CID 132663175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).