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

C29H26ClFN2O6S — CID 43889527

IUPACN-(5-chloro-2-phenoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC
InChIInChI=1S/C29H26ClFN2O6S/c1-37-27-16-22(29(34)32-24-15-20(30)13-14-26(24)39-21-10-5-4-6-11-21)25(17-28(27)38-2)33(40(3,35)36)18-19-9-7-8-12-23(19)31/h4-17H,18H2,1-3H3,(H,32,34)
InChIKeyANJCFUWLJZFWIJ-UHFFFAOYSA-N
MW585.05 g/mol
LogP6.51
Rot. Bonds10

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

N-(5-chloro-2-phenoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide (PubChem CID 43889527) has the molecular formula C29H26ClFN2O6S and a molecular weight of 585.05 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
PubChem CID43889527
Molecular FormulaC29H26ClFN2O6S
Molecular Weight585.05 g/mol
Exact Mass584.12
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC
InChIInChI=1S/C29H26ClFN2O6S/c1-37-27-16-22(29(34)32-24-15-20(30)13-14-26(24)39-21-10-5-4-6-11-21)25(17-28(27)38-2)33(40(3,35)36)18-19-9-7-8-12-23(19)31/h4-17H,18H2,1-3H3,(H,32,34)
InChIKeyANJCFUWLJZFWIJ-UHFFFAOYSA-N
XLogP6.51
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.05
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152072
N-(3-chloro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152157
methyl 2-[[2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzoyl]amino]-4,5-dimethoxybenzoate
CID 43889533
N-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152189
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 30152034
N-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152029
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 30152333
N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152134
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-[2-(4-methoxyphenyl)ethyl]benzamide
CID 30151941
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-difluorophenyl)-4,5-dimethoxybenzamide
CID 30151585
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethoxyphenyl)-4,5-dimethoxybenzamide
CID 30151606

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide (CID 43889527) is N-(5-chloro-2-phenoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide is COc1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide?
The InChIKey is ANJCFUWLJZFWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClFN2O6S/c1-37-27-16-22(29(34)32-24-15-20(30)13-14-26(24)39-21-10-5-4-6-11-21)25(17-28(27)38-2)33(40(3,35)36)18-19-9-7-8-12-23(19)31/h4-17H,18H2,1-3H3,(H,32,34).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide?
N-(5-chloro-2-phenoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide has a molecular weight of 585.05 g/mol, XLogP of 6.51, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide is sourced from PubChem (CID 43889527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).