2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide

C18H18F2N2O4S — CID 26811616

IUPAC2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O4S/c1-11-3-5-13(27(2,25)26)10-16(11)22-17(23)7-8-21-18(24)14-6-4-12(19)9-15(14)20/h3-6,9-10H,7-8H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyNKJQLMWMGGDYAK-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.44
Rot. Bonds6

About 2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide

2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide (PubChem CID 26811616) has the molecular formula C18H18F2N2O4S and a molecular weight of 396.42 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide
PubChem CID26811616
Molecular FormulaC18H18F2N2O4S
Molecular Weight396.42 g/mol
Exact Mass396.10
IUPAC Name2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O4S/c1-11-3-5-13(27(2,25)26)10-16(11)22-17(23)7-8-21-18(24)14-6-4-12(19)9-15(14)20/h3-6,9-10H,7-8H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyNKJQLMWMGGDYAK-UHFFFAOYSA-N
XLogP2.44
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide
CID 30492931
2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide
CID 51314532
2,4-difluoro-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzamide
CID 9246462
2,4-difluoro-N-[3-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 55818493
2-(2-fluorophenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 51198508
methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate
CID 30670553
2,4-difluoro-N-[4-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]-4-oxobutyl]benzamide
CID 25489927
N-[4-[5-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutyl]-2,4-difluorobenzamide
CID 46467552
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 60843473
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021
N-[3-[4-[butyl(methyl)sulfamoyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 30669790
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 43346625

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide (CID 26811616) is 2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide?
The InChIKey is NKJQLMWMGGDYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4S/c1-11-3-5-13(27(2,25)26)10-16(11)22-17(23)7-8-21-18(24)14-6-4-12(19)9-15(14)20/h3-6,9-10H,7-8H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide?
2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide has a molecular weight of 396.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 26811616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).