N-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide

C25H26FN3O6S — CID 30152189

IUPACN-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC
InChIInChI=1S/C25H26FN3O6S/c1-16(30)27-18-9-11-19(12-10-18)28-25(31)20-13-23(34-2)24(35-3)14-22(20)29(36(4,32)33)15-17-7-5-6-8-21(17)26/h5-14H,15H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyXNGWBEQQBPHNSA-UHFFFAOYSA-N
MW515.56 g/mol
LogP4.02
Rot. Bonds9

About N-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide

N-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide (PubChem CID 30152189) has the molecular formula C25H26FN3O6S and a molecular weight of 515.56 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
PubChem CID30152189
Molecular FormulaC25H26FN3O6S
Molecular Weight515.56 g/mol
Exact Mass515.15
IUPAC NameN-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC
InChIInChI=1S/C25H26FN3O6S/c1-16(30)27-18-9-11-19(12-10-18)28-25(31)20-13-23(34-2)24(35-3)14-22(20)29(36(4,32)33)15-17-7-5-6-8-21(17)26/h5-14H,15H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyXNGWBEQQBPHNSA-UHFFFAOYSA-N
XLogP4.02
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.56
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152029
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 30152034
N-(3-chloro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152157
N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152134
methyl 2-[[2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzoyl]amino]-4,5-dimethoxybenzoate
CID 43889533
N-(4-chloro-2-methylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152072
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30152346
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 30152333
N-(5-chloro-2-phenoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 43889527
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 30151941
N-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 30152291
methyl 4-[[2-[(4-chlorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoate
CID 43889436

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide (CID 30152189) is N-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide is COc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide?
The InChIKey is XNGWBEQQBPHNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O6S/c1-16(30)27-18-9-11-19(12-10-18)28-25(31)20-13-23(34-2)24(35-3)14-22(20)29(36(4,32)33)15-17-7-5-6-8-21(17)26/h5-14H,15H2,1-4H3,(H,27,30)(H,28,31).
What are the key properties of N-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide?
N-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide has a molecular weight of 515.56 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide is sourced from PubChem (CID 30152189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).