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

C20H22F2N2O5S — CID 26252591

IUPAC4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OC(F)F
InChIInChI=1S/C20H22F2N2O5S/c1-28-18-13-14(5-10-17(18)29-20(21)22)19(25)23-15-6-8-16(9-7-15)30(26,27)24-11-3-2-4-12-24/h5-10,13,20H,2-4,11-12H2,1H3,(H,23,25)
InChIKeyJUAHXLYPSAENGL-UHFFFAOYSA-N
MW440.47 g/mol
LogP3.72
Rot. Bonds7

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

4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 26252591) has the molecular formula C20H22F2N2O5S and a molecular weight of 440.47 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID26252591
Molecular FormulaC20H22F2N2O5S
Molecular Weight440.47 g/mol
Exact Mass440.12
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OC(F)F
InChIInChI=1S/C20H22F2N2O5S/c1-28-18-13-14(5-10-17(18)29-20(21)22)19(25)23-15-6-8-16(9-7-15)30(26,27)24-11-3-2-4-12-24/h5-10,13,20H,2-4,11-12H2,1H3,(H,23,25)
InChIKeyJUAHXLYPSAENGL-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

4-(difluoromethoxy)-3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26065662
4-(difluoromethoxy)-3-methoxy-N-(4-sulfamoylphenyl)benzamide
CID 9314405
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 26054553
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21368139
2-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 55342317
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99968232
N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide
CID 155705982
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
3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide
CID 55381469
3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17073769

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 26252591) is 4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is JUAHXLYPSAENGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O5S/c1-28-18-13-14(5-10-17(18)29-20(21)22)19(25)23-15-6-8-16(9-7-15)30(26,27)24-11-3-2-4-12-24/h5-10,13,20H,2-4,11-12H2,1H3,(H,23,25).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
4-(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 4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 26252591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).