N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethoxybenzamide

C17H20N2O5S — CID 2672899

IUPACN-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C17H20N2O5S/c1-19(2)25(21,22)16-7-5-13(6-8-16)18-17(20)12-9-14(23-3)11-15(10-12)24-4/h5-11H,1-4H3,(H,18,20)
InChIKeyQZSGOCFTUCMTKB-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.21
Rot. Bonds6

About N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethoxybenzamide

N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethoxybenzamide (PubChem CID 2672899) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
PubChem CID2672899
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C17H20N2O5S/c1-19(2)25(21,22)16-7-5-13(6-8-16)18-17(20)12-9-14(23-3)11-15(10-12)24-4/h5-11H,1-4H3,(H,18,20)
InChIKeyQZSGOCFTUCMTKB-UHFFFAOYSA-N
XLogP2.21
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethoxybenzamide (CID 2672899) is N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethoxybenzamide?
The InChIKey is QZSGOCFTUCMTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-19(2)25(21,22)16-7-5-13(6-8-16)18-17(20)12-9-14(23-3)11-15(10-12)24-4/h5-11H,1-4H3,(H,18,20).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethoxybenzamide?
N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethoxybenzamide has a molecular weight of 364.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 2672899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).