2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide

C26H29FN2O6S — CID 30151941

IUPAC2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C26H29FN2O6S/c1-33-20-11-9-18(10-12-20)13-14-28-26(30)21-15-24(34-2)25(35-3)16-23(21)29(36(4,31)32)17-19-7-5-6-8-22(19)27/h5-12,15-16H,13-14,17H2,1-4H3,(H,28,30)
InChIKeyJEYVJNUQEIAKLB-UHFFFAOYSA-N
MW516.59 g/mol
LogP3.79
Rot. Bonds11

About 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide

2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 30151941) has the molecular formula C26H29FN2O6S and a molecular weight of 516.59 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID30151941
Molecular FormulaC26H29FN2O6S
Molecular Weight516.59 g/mol
Exact Mass516.17
IUPAC Name2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C26H29FN2O6S/c1-33-20-11-9-18(10-12-20)13-14-28-26(30)21-15-24(34-2)25(35-3)16-23(21)29(36(4,31)32)17-19-7-5-6-8-22(19)27/h5-12,15-16H,13-14,17H2,1-4H3,(H,28,30)
InChIKeyJEYVJNUQEIAKLB-UHFFFAOYSA-N
XLogP3.79
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.59
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 30152333
N-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152029
N-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152189
methyl 2-[[2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzoyl]amino]-4,5-dimethoxybenzoate
CID 43889533
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30152346
N-(3-chloro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152157
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 30152034
N-(4-chloro-2-methylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152072
N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152134
N-(5-chloro-2-phenoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 43889527
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 30151398
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 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 30151941) is 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is JEYVJNUQEIAKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O6S/c1-33-20-11-9-18(10-12-20)13-14-28-26(30)21-15-24(34-2)25(35-3)16-23(21)29(36(4,31)32)17-19-7-5-6-8-22(19)27/h5-12,15-16H,13-14,17H2,1-4H3,(H,28,30).
What are the key properties of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide?
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 516.59 g/mol, XLogP of 3.79, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 30151941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).