3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide

C25H24FN3O3S — CID 55688009

IUPAC3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C25H24FN3O3S/c1-16-12-13-17(14-21(16)28-24(31)18-8-4-5-9-19(18)26)25(32)29(2)15-23(30)27-20-10-6-7-11-22(20)33-3/h4-14H,15H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyQEUVZIXKUYBVJC-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.82
Rot. Bonds7

About 3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide

3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide (PubChem CID 55688009) has the molecular formula C25H24FN3O3S and a molecular weight of 465.55 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
PubChem CID55688009
Molecular FormulaC25H24FN3O3S
Molecular Weight465.55 g/mol
Exact Mass465.15
IUPAC Name3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C25H24FN3O3S/c1-16-12-13-17(14-21(16)28-24(31)18-8-4-5-9-19(18)26)25(32)29(2)15-23(30)27-20-10-6-7-11-22(20)33-3/h4-14H,15H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyQEUVZIXKUYBVJC-UHFFFAOYSA-N
XLogP4.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,3,4-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417071
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38764735
3,4-dimethyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 9416977
2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 2568683
3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417026
4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417009
4-chloro-2-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38768863
2-[cyclopropyl-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]propanoic acid
CID 119203367
N,2,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]furan-3-carboxamide
CID 38765472
N-[3-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9417092
2-chloro-4-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38765269
3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide
CID 146154056

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide (CID 55688009) is 3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide is CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
The InChIKey is QEUVZIXKUYBVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3S/c1-16-12-13-17(14-21(16)28-24(31)18-8-4-5-9-19(18)26)25(32)29(2)15-23(30)27-20-10-6-7-11-22(20)33-3/h4-14H,15H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of 3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide?
3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide has a molecular weight of 465.55 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorobenzoyl)amino]-N,4-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 55688009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).