N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide

C17H20N2O5S — CID 47042424

IUPACN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
SMILESCOCCOc1ccc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C17H20N2O5S/c1-23-9-10-24-16-8-3-13(11-18-16)12-19-17(20)14-4-6-15(7-5-14)25(2,21)22/h3-8,11H,9-10,12H2,1-2H3,(H,19,20)
InChIKeyRWWJZHFMLFPITB-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.44
Rot. Bonds8

About N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide (PubChem CID 47042424) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
PubChem CID47042424
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
SMILESCOCCOc1ccc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C17H20N2O5S/c1-23-9-10-24-16-8-3-13(11-18-16)12-19-17(20)14-4-6-15(7-5-14)25(2,21)22/h3-8,11H,9-10,12H2,1-2H3,(H,19,20)
InChIKeyRWWJZHFMLFPITB-UHFFFAOYSA-N
XLogP1.44
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 55783694
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55783602
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55844031
3-benzamido-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylbenzamide
CID 55783632
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(2-oxopropyl)pyridine-4-carboxamide
CID 159353207
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55620834
3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55744605
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]furan-2-carboxamide
CID 47042423
3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
CID 55844557
N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide
CID 60892970
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide (CID 47042424) is N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide is COCCOc1ccc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)cn1.
What is the InChIKey of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide?
The InChIKey is RWWJZHFMLFPITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-23-9-10-24-16-8-3-13(11-18-16)12-19-17(20)14-4-6-15(7-5-14)25(2,21)22/h3-8,11H,9-10,12H2,1-2H3,(H,19,20).
What are the key properties of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide?
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide has a molecular weight of 364.42 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 47042424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).