4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide

C23H22F2N2O4S — CID 55594079

IUPAC4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C23H22F2N2O4S/c1-15(19-6-4-5-7-22(19)31-3)27(2)23(28)16-8-10-17(11-9-16)26-32(29,30)18-12-13-20(24)21(25)14-18/h4-15,26H,1-3H3
InChIKeyVKAICCQDWGJGJZ-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.61
Rot. Bonds7

About 4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide

4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 55594079) has the molecular formula C23H22F2N2O4S and a molecular weight of 460.50 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
PubChem CID55594079
Molecular FormulaC23H22F2N2O4S
Molecular Weight460.50 g/mol
Exact Mass460.13
IUPAC Name4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C23H22F2N2O4S/c1-15(19-6-4-5-7-22(19)31-3)27(2)23(28)16-8-10-17(11-9-16)26-32(29,30)18-12-13-20(24)21(25)14-18/h4-15,26H,1-3H3
InChIKeyVKAICCQDWGJGJZ-UHFFFAOYSA-N
XLogP4.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55579375
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 46591499
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 39687761
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 55580213
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 46588331
4-[(3,4-difluorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)benzamide
CID 27537974
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
4-benzamido-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 42953411
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 60571190
4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25335198
4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 42961976
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 46565388

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide (CID 55594079) is 4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide is COc1ccccc1C(C)N(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is VKAICCQDWGJGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O4S/c1-15(19-6-4-5-7-22(19)31-3)27(2)23(28)16-8-10-17(11-9-16)26-32(29,30)18-12-13-20(24)21(25)14-18/h4-15,26H,1-3H3.
What are the key properties of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide has a molecular weight of 460.50 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 55594079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).