2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide

C18H22FN3O5S2 — CID 132672856

IUPAC2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C18H22FN3O5S2/c1-13(22(29(4,26)27)17-11-6-5-10-16(17)19)18(23)20-14-8-7-9-15(12-14)21(2)28(3,24)25/h5-13H,1-4H3,(H,20,23)
InChIKeyLISUGPCMJQUNDL-UHFFFAOYSA-N
MW443.52 g/mol
LogP2.01
Rot. Bonds7

About 2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide

2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide (PubChem CID 132672856) has the molecular formula C18H22FN3O5S2 and a molecular weight of 443.52 g/mol. Its IUPAC name is 2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
PubChem CID132672856
Molecular FormulaC18H22FN3O5S2
Molecular Weight443.52 g/mol
Exact Mass443.10
IUPAC Name2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C18H22FN3O5S2/c1-13(22(29(4,26)27)17-11-6-5-10-16(17)19)18(23)20-14-8-7-9-15(12-14)21(2)28(3,24)25/h5-13H,1-4H3,(H,20,23)
InChIKeyLISUGPCMJQUNDL-UHFFFAOYSA-N
XLogP2.01
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99131742
2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 56920914
2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 53288513
N-(2,4-difluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 53285822
(2S)-N-(2,5-dimethylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99132038
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166753
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide
CID 2942864
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 133166882
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 99131874
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 99131905
(2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide
CID 125054821
N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132664773

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide?
The IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide (CID 132672856) is 2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide.
What is the SMILES notation for 2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide?
The canonical SMILES for 2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide is CC(C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of 2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide?
The InChIKey is LISUGPCMJQUNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O5S2/c1-13(22(29(4,26)27)17-11-6-5-10-16(17)19)18(23)20-14-8-7-9-15(12-14)21(2)28(3,24)25/h5-13H,1-4H3,(H,20,23).
What are the key properties of 2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide?
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide has a molecular weight of 443.52 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide is sourced from PubChem (CID 132672856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).