3-(4,6-dimethyl-2-pyridinyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide

C22H24N2O2S — CID 118776395

IUPAC3-(4,6-dimethyl-2-pyridinyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1cc(C)nc(-c2cccc(C(=O)N(CCO)Cc3sccc3C)c2)c1
InChIInChI=1S/C22H24N2O2S/c1-15-11-17(3)23-20(12-15)18-5-4-6-19(13-18)22(26)24(8-9-25)14-21-16(2)7-10-27-21/h4-7,10-13,25H,8-9,14H2,1-3H3
InChIKeyGKLGFIASMIFVMB-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.37
Rot. Bonds6

About 3-(4,6-dimethyl-2-pyridinyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide

3-(4,6-dimethyl-2-pyridinyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 118776395) 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-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-pyridinyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID118776395
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name3-(4,6-dimethyl-2-pyridinyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1cc(C)nc(-c2cccc(C(=O)N(CCO)Cc3sccc3C)c2)c1
InChIInChI=1S/C22H24N2O2S/c1-15-11-17(3)23-20(12-15)18-5-4-6-19(13-18)22(26)24(8-9-25)14-21-16(2)7-10-27-21/h4-7,10-13,25H,8-9,14H2,1-3H3
InChIKeyGKLGFIASMIFVMB-UHFFFAOYSA-N
XLogP4.37
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-pyridinyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 3-(4,6-dimethyl-2-pyridinyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 118776395) is 3-(4,6-dimethyl-2-pyridinyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-pyridinyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 3-(4,6-dimethyl-2-pyridinyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide is Cc1cc(C)nc(-c2cccc(C(=O)N(CCO)Cc3sccc3C)c2)c1.
What is the InChIKey of 3-(4,6-dimethyl-2-pyridinyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is GKLGFIASMIFVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-15-11-17(3)23-20(12-15)18-5-4-6-19(13-18)22(26)24(8-9-25)14-21-16(2)7-10-27-21/h4-7,10-13,25H,8-9,14H2,1-3H3.
What are the key properties of 3-(4,6-dimethyl-2-pyridinyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide?
3-(4,6-dimethyl-2-pyridinyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 380.51 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 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-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 118776395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).