4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide

C21H24F2N2O6S — CID 26065662

IUPAC4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C21H24F2N2O6S/c1-29-17-9-7-15(32(27,28)25-10-4-3-5-11-25)13-16(17)24-20(26)14-6-8-18(31-21(22)23)19(12-14)30-2/h6-9,12-13,21H,3-5,10-11H2,1-2H3,(H,24,26)
InChIKeyIATJZQJCSQUGLF-UHFFFAOYSA-N
MW470.49 g/mol
LogP3.73
Rot. Bonds8

About 4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide

4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 26065662) has the molecular formula C21H24F2N2O6S and a molecular weight of 470.49 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID26065662
Molecular FormulaC21H24F2N2O6S
Molecular Weight470.49 g/mol
Exact Mass470.13
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C21H24F2N2O6S/c1-29-17-9-7-15(32(27,28)25-10-4-3-5-11-25)13-16(17)24-20(26)14-6-8-18(31-21(22)23)19(12-14)30-2/h6-9,12-13,21H,3-5,10-11H2,1-2H3,(H,24,26)
InChIKeyIATJZQJCSQUGLF-UHFFFAOYSA-N
XLogP3.73
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 26252591
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 26065836
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 4849595
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3963997
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 5187446
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide
CID 26848789
3-(dimethylamino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7892910
4-cyclopentyloxy-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-methoxybenzamide
CID 55820947
methyl 2-[3-[[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]carbamoyl]phenoxy]acetate
CID 55883959
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide (CID 26065662) is 4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(OC(F)F)c(OC)c1.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is IATJZQJCSQUGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O6S/c1-29-17-9-7-15(32(27,28)25-10-4-3-5-11-25)13-16(17)24-20(26)14-6-8-18(31-21(22)23)19(12-14)30-2/h6-9,12-13,21H,3-5,10-11H2,1-2H3,(H,24,26).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 470.49 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 26065662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).