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

C25H27FN2O5S — CID 30152029

IUPACN-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
SMILESCCc1ccc(NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C25H27FN2O5S/c1-5-17-10-12-19(13-11-17)27-25(29)20-14-23(32-2)24(33-3)15-22(20)28(34(4,30)31)16-18-8-6-7-9-21(18)26/h6-15H,5,16H2,1-4H3,(H,27,29)
InChIKeyKOYZFIDRLHAAAM-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.62
Rot. Bonds9

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

N-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide (PubChem CID 30152029) has the molecular formula C25H27FN2O5S and a molecular weight of 486.57 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
PubChem CID30152029
Molecular FormulaC25H27FN2O5S
Molecular Weight486.57 g/mol
Exact Mass486.16
IUPAC NameN-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
SMILESCCc1ccc(NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C25H27FN2O5S/c1-5-17-10-12-19(13-11-17)27-25(29)20-14-23(32-2)24(33-3)15-22(20)28(34(4,30)31)16-18-8-6-7-9-21(18)26/h6-15H,5,16H2,1-4H3,(H,27,29)
InChIKeyKOYZFIDRLHAAAM-UHFFFAOYSA-N
XLogP4.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide?
The IUPAC name of N-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide (CID 30152029) is N-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide is CCc1ccc(NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide?
The InChIKey is KOYZFIDRLHAAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O5S/c1-5-17-10-12-19(13-11-17)27-25(29)20-14-23(32-2)24(33-3)15-22(20)28(34(4,30)31)16-18-8-6-7-9-21(18)26/h6-15H,5,16H2,1-4H3,(H,27,29).
What are the key properties of N-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide?
N-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide has a molecular weight of 486.57 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide is sourced from PubChem (CID 30152029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).