N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide

C22H22Cl2N2O4S — CID 46013156

About N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide

N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide (PubChem CID 46013156) has the molecular formula C22H22Cl2N2O4S and a molecular weight of 481.40 g/mol. Its IUPAC name is N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

• Compound Name: N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
• PubChem CID: 46013156
• Molecular Formula: C22H22Cl2N2O4S
• Molecular Weight: 481.40 g/mol
• Exact Mass: 480.07
• IUPAC Name: N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
• SMILES: COCCN(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C(=O)c1ccc(OC)cc1
• InChI: InChI=1S/C22H22Cl2N2O4S/c1-28-10-9-26(22(27)15-3-6-18(29-2)7-4-15)12-17-14-31-21(25-17)13-30-20-11-16(23)5-8-19(20)24/h3-8,11,14H,9-10,12-13H2,1-2H3
• InChIKey: VAWRGYNRWCCERN-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 60.89 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.40
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?

The IUPAC name of N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide (CID 46013156) is N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide.

What is the SMILES notation for N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?

The canonical SMILES for N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide is COCCN(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C(=O)c1ccc(OC)cc1.

What is the InChIKey of N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?

The InChIKey is VAWRGYNRWCCERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O4S/c1-28-10-9-26(22(27)15-3-6-18(29-2)7-4-15)12-17-14-31-21(25-17)13-30-20-11-16(23)5-8-19(20)24/h3-8,11,14H,9-10,12-13H2,1-2H3.

What are the key properties of N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?

N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 481.40 g/mol, XLogP of 5.33, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 46013156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).