2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide

C24H28N2O2S — CID 46009272

IUPAC2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3C)cs2)cc1
InChIInChI=1S/C24H28N2O2S/c1-17(2)13-26(24(27)22-8-6-5-7-19(22)4)14-20-16-29-23(25-20)15-28-21-11-9-18(3)10-12-21/h5-12,16-17H,13-15H2,1-4H3
InChIKeyVCAMFFPZVDHSGD-UHFFFAOYSA-N
MW408.57 g/mol
LogP5.64
Rot. Bonds8

About 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide

2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 46009272) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
PubChem CID46009272
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC Name2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3C)cs2)cc1
InChIInChI=1S/C24H28N2O2S/c1-17(2)13-26(24(27)22-8-6-5-7-19(22)4)14-20-16-29-23(25-20)15-28-21-11-9-18(3)10-12-21/h5-12,16-17H,13-15H2,1-4H3
InChIKeyVCAMFFPZVDHSGD-UHFFFAOYSA-N
XLogP5.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide (CID 46009272) is 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide is Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3C)cs2)cc1.
What is the InChIKey of 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is VCAMFFPZVDHSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-17(2)13-26(24(27)22-8-6-5-7-19(22)4)14-20-16-29-23(25-20)15-28-21-11-9-18(3)10-12-21/h5-12,16-17H,13-15H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 408.57 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46009272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).