2-[4-[[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide

C24H28N4O3S — CID 4783847

IUPAC2-[4-[[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C24H28N4O3S/c1-4-28(15-23(30)27-20-7-5-6-8-21(20)31-3)14-19-16-32-24(26-19)13-22(29)25-18-11-9-17(2)10-12-18/h5-12,16H,4,13-15H2,1-3H3,(H,25,29)(H,27,30)
InChIKeyVYVJXGLARXSZPX-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.10
Rot. Bonds10

About 2-[4-[[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide

2-[4-[[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 4783847) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[4-[[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID4783847
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name2-[4-[[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C24H28N4O3S/c1-4-28(15-23(30)27-20-7-5-6-8-21(20)31-3)14-19-16-32-24(26-19)13-22(29)25-18-11-9-17(2)10-12-18/h5-12,16H,4,13-15H2,1-3H3,(H,25,29)(H,27,30)
InChIKeyVYVJXGLARXSZPX-UHFFFAOYSA-N
XLogP4.10
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide (CID 4783847) is 2-[4-[[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is CCN(CC(=O)Nc1ccccc1OC)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1.
What is the InChIKey of 2-[4-[[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is VYVJXGLARXSZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-4-28(15-23(30)27-20-7-5-6-8-21(20)31-3)14-19-16-32-24(26-19)13-22(29)25-18-11-9-17(2)10-12-18/h5-12,16H,4,13-15H2,1-3H3,(H,25,29)(H,27,30).
What are the key properties of 2-[4-[[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide?
2-[4-[[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.10, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 4783847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).