N-[4-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide

C25H27N3O3S2 — CID 19712145

About N-[4-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide

N-[4-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide (PubChem CID 19712145) has the molecular formula C25H27N3O3S2 and a molecular weight of 481.64 g/mol. Its IUPAC name is N-[4-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide
• PubChem CID: 19712145
• Molecular Formula: C25H27N3O3S2
• Molecular Weight: 481.64 g/mol
• Exact Mass: 481.15
• IUPAC Name: N-[4-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide
• SMILES: COc1ccccc1-c1csc(NC(=O)CSc2ccc(NC(=O)C3CCCCC3)cc2)n1
• InChI: InChI=1S/C25H27N3O3S2/c1-31-22-10-6-5-9-20(22)21-15-33-25(27-21)28-23(29)16-32-19-13-11-18(12-14-19)26-24(30)17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8,16H2,1H3,(H,26,30)(H,27,28,29)
• InChIKey: WESSSUQGFBIUSS-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.64
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide?

The IUPAC name of N-[4-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide (CID 19712145) is N-[4-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide.

What is the SMILES notation for N-[4-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide?

The canonical SMILES for N-[4-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide is COc1ccccc1-c1csc(NC(=O)CSc2ccc(NC(=O)C3CCCCC3)cc2)n1.

What is the InChIKey of N-[4-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide?

The InChIKey is WESSSUQGFBIUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S2/c1-31-22-10-6-5-9-20(22)21-15-33-25(27-21)28-23(29)16-32-19-13-11-18(12-14-19)26-24(30)17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8,16H2,1H3,(H,26,30)(H,27,28,29).

What are the key properties of N-[4-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide?

N-[4-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide has a molecular weight of 481.64 g/mol, XLogP of 6.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 19712145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).