3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide

C22H24N2O2S — CID 118789146

IUPAC3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide
SMILESCc1cc(C)nc(-c2cccc(C(=O)NCC(CO)Cc3ccsc3)c2)c1
InChIInChI=1S/C22H24N2O2S/c1-15-8-16(2)24-21(9-15)19-4-3-5-20(11-19)22(26)23-12-18(13-25)10-17-6-7-27-14-17/h3-9,11,14,18,25H,10,12-13H2,1-2H3,(H,23,26)
InChIKeyXTHDRJUQFHJOHL-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.01
Rot. Bonds7

About 3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide

3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide (PubChem CID 118789146) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide
PubChem CID118789146
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide
SMILESCc1cc(C)nc(-c2cccc(C(=O)NCC(CO)Cc3ccsc3)c2)c1
InChIInChI=1S/C22H24N2O2S/c1-15-8-16(2)24-21(9-15)19-4-3-5-20(11-19)22(26)23-12-18(13-25)10-17-6-7-27-14-17/h3-9,11,14,18,25H,10,12-13H2,1-2H3,(H,23,26)
InChIKeyXTHDRJUQFHJOHL-UHFFFAOYSA-N
XLogP4.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide
CID 125447855
N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide
CID 70769503
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide
CID 125159526
2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide
CID 74238284
N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 99960412
N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 97445497
N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide
CID 126816815
1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide
CID 98350764
7-fluoro-N-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide
CID 124731741
3-(4,6-dimethyl-2-pyridinyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 118776395
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
N-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide
CID 124847725

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide?
The IUPAC name of 3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide (CID 118789146) is 3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide?
The canonical SMILES for 3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide is Cc1cc(C)nc(-c2cccc(C(=O)NCC(CO)Cc3ccsc3)c2)c1.
What is the InChIKey of 3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide?
The InChIKey is XTHDRJUQFHJOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-15-8-16(2)24-21(9-15)19-4-3-5-20(11-19)22(26)23-12-18(13-25)10-17-6-7-27-14-17/h3-9,11,14,18,25H,10,12-13H2,1-2H3,(H,23,26).
What are the key properties of 3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide?
3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide has a molecular weight of 380.51 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide is sourced from PubChem (CID 118789146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).