N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide

C20H26N2O4S — CID 34429535

IUPACN-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H26N2O4S/c1-15(2)14-26-18-10-7-9-16(12-18)20(23)21-13-17-8-5-6-11-19(17)27(24,25)22(3)4/h5-12,15H,13-14H2,1-4H3,(H,21,23)
InChIKeyZMFXHPWOFBCVHW-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.90
Rot. Bonds8

About N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide (PubChem CID 34429535) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide
PubChem CID34429535
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H26N2O4S/c1-15(2)14-26-18-10-7-9-16(12-18)20(23)21-13-17-8-5-6-11-19(17)27(24,25)22(3)4/h5-12,15H,13-14H2,1-4H3,(H,21,23)
InChIKeyZMFXHPWOFBCVHW-UHFFFAOYSA-N
XLogP2.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35955984
4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 26060041
N-[1-[[2-(dimethylsulfamoyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55495204
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid
CID 66168078
N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride
CID 119439604
N-(3-hydroxy-2-methylpropyl)-3-(2-methylpropoxy)benzamide
CID 65037333
N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide
CID 106842963
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 30918870
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 55941699
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-propan-2-ylsulfanylbenzamide
CID 51319254
2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 41266673

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide (CID 34429535) is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide?
The InChIKey is ZMFXHPWOFBCVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15(2)14-26-18-10-7-9-16(12-18)20(23)21-13-17-8-5-6-11-19(17)27(24,25)22(3)4/h5-12,15H,13-14H2,1-4H3,(H,21,23).
What are the key properties of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide?
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide has a molecular weight of 390.51 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 34429535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).