3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide

C20H22F2N2O4S — CID 46588506

IUPAC3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1OC(F)F)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C20H22F2N2O4S/c21-20(22)28-18-11-4-1-6-15(18)13-23-19(25)14-7-5-10-17(12-14)29(26,27)24-16-8-2-3-9-16/h1,4-7,10-12,16,20,24H,2-3,8-9,13H2,(H,23,25)
InChIKeyVWRSCJDTEICGEI-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.44
Rot. Bonds8

About 3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide

3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide (PubChem CID 46588506) has the molecular formula C20H22F2N2O4S and a molecular weight of 424.47 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
PubChem CID46588506
Molecular FormulaC20H22F2N2O4S
Molecular Weight424.47 g/mol
Exact Mass424.13
IUPAC Name3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1OC(F)F)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C20H22F2N2O4S/c21-20(22)28-18-11-4-1-6-15(18)13-23-19(25)14-7-5-10-17(12-14)29(26,27)24-16-8-2-3-9-16/h1,4-7,10-12,16,20,24H,2-3,8-9,13H2,(H,23,25)
InChIKeyVWRSCJDTEICGEI-UHFFFAOYSA-N
XLogP3.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 46581452
3-(cyclopentylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063155
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 41368824
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 30254086
3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365
3-(cyclopentylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041602
N-[(2-cyclopentyloxyphenyl)methyl]-3-(diethylsulfamoyl)benzamide
CID 52656968
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55894287
3-(cyclohexylsulfamoyl)-N-(2-ethylphenyl)benzamide
CID 109063388

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide (CID 46588506) is 3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide is O=C(NCc1ccccc1OC(F)F)c1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is VWRSCJDTEICGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O4S/c21-20(22)28-18-11-4-1-6-15(18)13-23-19(25)14-7-5-10-17(12-14)29(26,27)24-16-8-2-3-9-16/h1,4-7,10-12,16,20,24H,2-3,8-9,13H2,(H,23,25).
What are the key properties of 3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide?
3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 424.47 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 46588506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).