N-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide

C21H26N2O4S — CID 78903302

IUPACN-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(COc2ccccc2C(=O)NC2CCCC2)c1
InChIInChI=1S/C21H26N2O4S/c1-23(2)28(25,26)18-11-7-8-16(14-18)15-27-20-13-6-5-12-19(20)21(24)22-17-9-3-4-10-17/h5-8,11-14,17H,3-4,9-10,15H2,1-2H3,(H,22,24)
InChIKeyGWWLBCGNYHGNPR-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.19
Rot. Bonds7

About N-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide

N-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide (PubChem CID 78903302) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide
PubChem CID78903302
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(COc2ccccc2C(=O)NC2CCCC2)c1
InChIInChI=1S/C21H26N2O4S/c1-23(2)28(25,26)18-11-7-8-16(14-18)15-27-20-13-6-5-12-19(20)21(24)22-17-9-3-4-10-17/h5-8,11-14,17H,3-4,9-10,15H2,1-2H3,(H,22,24)
InChIKeyGWWLBCGNYHGNPR-UHFFFAOYSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide
CID 24982275
3-[(2-acetyl-4-fluorophenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 112787679
2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 26196212
N-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-2-phenylmethoxybenzamide
CID 175019852
2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035
N-cyclohexyl-2-[(R)-[3-(dimethylsulfamoyl)phenyl]methylsulfinyl]acetamide
CID 95763029
[3-(dimethylsulfamoyl)phenyl]methyl 3-cyclopentylpropanoate
CID 55315154
3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide
CID 109063417
4-amino-N-cyclopentyl-2-phenylmethoxybenzamide
CID 146035949
[3-(dimethylsulfamoyl)phenyl]methyl (2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate
CID 55929454
[3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate
CID 42986561
3-[(3,5-dimethylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 112787329

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide?
The IUPAC name of N-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide (CID 78903302) is N-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide.
What is the SMILES notation for N-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide?
The canonical SMILES for N-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide is CN(C)S(=O)(=O)c1cccc(COc2ccccc2C(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide?
The InChIKey is GWWLBCGNYHGNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-23(2)28(25,26)18-11-7-8-16(14-18)15-27-20-13-6-5-12-19(20)21(24)22-17-9-3-4-10-17/h5-8,11-14,17H,3-4,9-10,15H2,1-2H3,(H,22,24).
What are the key properties of N-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide?
N-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide is sourced from PubChem (CID 78903302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).