N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide

C18H20N2O4S — CID 32626914

IUPACN,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c1
InChIInChI=1S/C18H20N2O4S/c1-20(2)18(22)15-5-4-6-16(11-15)19-17(21)14-9-7-13(8-10-14)12-25(3,23)24/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyPIXIQOZONNCTPV-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.19
Rot. Bonds5

About N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide

N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide (PubChem CID 32626914) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide
PubChem CID32626914
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c1
InChIInChI=1S/C18H20N2O4S/c1-20(2)18(22)15-5-4-6-16(11-15)19-17(21)14-9-7-13(8-10-14)12-25(3,23)24/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyPIXIQOZONNCTPV-UHFFFAOYSA-N
XLogP2.19
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 8761868
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 26313396
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 30379466
3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 32627137
3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 30379406
N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 27054975
N-[[4-[[3-(dimethylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 32627059
3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 46474380
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 51339145
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide (CID 32626914) is N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide is CN(C)C(=O)c1cccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c1.
What is the InChIKey of N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide?
The InChIKey is PIXIQOZONNCTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-20(2)18(22)15-5-4-6-16(11-15)19-17(21)14-9-7-13(8-10-14)12-25(3,23)24/h4-11H,12H2,1-3H3,(H,19,21).
What are the key properties of N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide?
N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide has a molecular weight of 360.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 32626914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).