N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C24H28N4O3S2 — CID 55749828

IUPACN-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCC1CCN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)NCc4cccs4)c3)cn2)CC1
InChIInChI=1S/C24H28N4O3S2/c1-18-9-11-28(12-10-18)23-8-7-19(15-25-23)16-26-24(29)20-4-2-6-22(14-20)33(30,31)27-17-21-5-3-13-32-21/h2-8,13-15,18,27H,9-12,16-17H2,1H3,(H,26,29)
InChIKeyZAKNLZJFEXALJC-UHFFFAOYSA-N
MW484.65 g/mol
LogP3.79
Rot. Bonds8

About N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 55749828) has the molecular formula C24H28N4O3S2 and a molecular weight of 484.65 g/mol. Its IUPAC name is N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID55749828
Molecular FormulaC24H28N4O3S2
Molecular Weight484.65 g/mol
Exact Mass484.16
IUPAC NameN-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCC1CCN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)NCc4cccs4)c3)cn2)CC1
InChIInChI=1S/C24H28N4O3S2/c1-18-9-11-28(12-10-18)23-8-7-19(15-25-23)16-26-24(29)20-4-2-6-22(14-20)33(30,31)27-17-21-5-3-13-32-21/h2-8,13-15,18,27H,9-12,16-17H2,1H3,(H,26,29)
InChIKeyZAKNLZJFEXALJC-UHFFFAOYSA-N
XLogP3.79
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)butyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55716578
3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710370
2-methyl-1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111257685
N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60518879
3-(2-methylpiperidin-1-yl)sulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 42930977
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
CID 55846067
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55709763
1-[3-(thiophen-2-ylmethylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354635
3-(cyclopropylmethylsulfamoyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55744605
2-bromo-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-sulfamoylbenzamide
CID 55846460

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 55749828) is N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is CC1CCN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)NCc4cccs4)c3)cn2)CC1.
What is the InChIKey of N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is ZAKNLZJFEXALJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S2/c1-18-9-11-28(12-10-18)23-8-7-19(15-25-23)16-26-24(29)20-4-2-6-22(14-20)33(30,31)27-17-21-5-3-13-32-21/h2-8,13-15,18,27H,9-12,16-17H2,1H3,(H,26,29).
What are the key properties of N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 484.65 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 55749828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).