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

C20H22F2N2O5S — CID 55342317

IUPAC2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1OC(F)F
InChIInChI=1S/C20H22F2N2O5S/c1-28-17-7-5-6-16(18(17)29-20(21)22)19(25)23-14-8-10-15(11-9-14)30(26,27)24-12-3-2-4-13-24/h5-11,20H,2-4,12-13H2,1H3,(H,23,25)
InChIKeyDVOCQIKHFGAPPG-UHFFFAOYSA-N
MW440.47 g/mol
LogP3.72
Rot. Bonds7

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

2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 55342317) has the molecular formula C20H22F2N2O5S and a molecular weight of 440.47 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID55342317
Molecular FormulaC20H22F2N2O5S
Molecular Weight440.47 g/mol
Exact Mass440.12
IUPAC Name2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1OC(F)F
InChIInChI=1S/C20H22F2N2O5S/c1-28-17-7-5-6-16(18(17)29-20(21)22)19(25)23-14-8-10-15(11-9-14)30(26,27)24-12-3-2-4-13-24/h5-11,20H,2-4,12-13H2,1H3,(H,23,25)
InChIKeyDVOCQIKHFGAPPG-UHFFFAOYSA-N
XLogP3.72
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dimethoxybenzamide
CID 51556740
4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 26252591
N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide
CID 31118008
2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55339570
2-methoxy-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759835
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945392
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2,3-dimethoxybenzoate
CID 42962825
4-chloro-2-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 60594030
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 55342317) is 2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is COc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is DVOCQIKHFGAPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O5S/c1-28-17-7-5-6-16(18(17)29-20(21)22)19(25)23-14-8-10-15(11-9-14)30(26,27)24-12-3-2-4-13-24/h5-11,20H,2-4,12-13H2,1H3,(H,23,25).
What are the key properties of 2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 440.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 55342317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).