N-[2-[(2,2-diphenylacetyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

C32H33N3O3S — CID 42879967

About N-[2-[(2,2-diphenylacetyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

N-[2-[(2,2-diphenylacetyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 42879967) has the molecular formula C32H33N3O3S and a molecular weight of 539.70 g/mol. Its IUPAC name is N-[2-[(2,2-diphenylacetyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(2,2-diphenylacetyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 42879967
• Molecular Formula: C32H33N3O3S
• Molecular Weight: 539.70 g/mol
• Exact Mass: 539.22
• IUPAC Name: N-[2-[(2,2-diphenylacetyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
• SMILES: Cc1ccc(OCc2nc(C(=O)NC3CCCCC3NC(=O)C(c3ccccc3)c3ccccc3)cs2)cc1
• InChI: InChI=1S/C32H33N3O3S/c1-22-16-18-25(19-17-22)38-20-29-33-28(21-39-29)31(36)34-26-14-8-9-15-27(26)35-32(37)30(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-7,10-13,16-19,21,26-27,30H,8-9,14-15,20H2,1H3,(H,34,36)(H,35,37)
• InChIKey: CJPIFWIVJPQZDM-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.70
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-diphenylacetyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[2-[(2,2-diphenylacetyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 42879967) is N-[2-[(2,2-diphenylacetyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[2-[(2,2-diphenylacetyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[2-[(2,2-diphenylacetyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide is Cc1ccc(OCc2nc(C(=O)NC3CCCCC3NC(=O)C(c3ccccc3)c3ccccc3)cs2)cc1.

What is the InChIKey of N-[2-[(2,2-diphenylacetyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?

The InChIKey is CJPIFWIVJPQZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O3S/c1-22-16-18-25(19-17-22)38-20-29-33-28(21-39-29)31(36)34-26-14-8-9-15-27(26)35-32(37)30(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-7,10-13,16-19,21,26-27,30H,8-9,14-15,20H2,1H3,(H,34,36)(H,35,37).

What are the key properties of N-[2-[(2,2-diphenylacetyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide?

N-[2-[(2,2-diphenylacetyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 539.70 g/mol, XLogP of 6.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2,2-diphenylacetyl)amino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42879967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).