N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

C22H29N3O5S — CID 55783694

IUPACN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOCCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cn1
InChIInChI=1S/C22H29N3O5S/c1-17-9-11-25(12-10-17)31(27,28)20-6-4-19(5-7-20)22(26)24-16-18-3-8-21(23-15-18)30-14-13-29-2/h3-8,15,17H,9-14,16H2,1-2H3,(H,24,26)
InChIKeyZLUNJPLCTCLUDK-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.46
Rot. Bonds9

About N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55783694) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55783694
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOCCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cn1
InChIInChI=1S/C22H29N3O5S/c1-17-9-11-25(12-10-17)31(27,28)20-6-4-19(5-7-20)22(26)24-16-18-3-8-21(23-15-18)30-14-13-29-2/h3-8,15,17H,9-14,16H2,1-2H3,(H,24,26)
InChIKeyZLUNJPLCTCLUDK-UHFFFAOYSA-N
XLogP2.46
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.46
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-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55783602
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 47042424
N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46586668
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1044182
N-[(2-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26692000
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55754023
3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55744605
methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 41210171
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55744255
N-[3-(cyclopropylmethoxy)propyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 31849879
N-[4-(4-fluorophenoxy)butyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 42572130

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 55783694) is N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is COCCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cn1.
What is the InChIKey of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is ZLUNJPLCTCLUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-17-9-11-25(12-10-17)31(27,28)20-6-4-19(5-7-20)22(26)24-16-18-3-8-21(23-15-18)30-14-13-29-2/h3-8,15,17H,9-14,16H2,1-2H3,(H,24,26).
What are the key properties of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 447.56 g/mol, XLogP of 2.46, 9 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-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55783694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).