2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide

C26H33N3O3S — CID 55887920

About 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide

2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 55887920) has the molecular formula C26H33N3O3S and a molecular weight of 467.64 g/mol. Its IUPAC name is 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
• PubChem CID: 55887920
• Molecular Formula: C26H33N3O3S
• Molecular Weight: 467.64 g/mol
• Exact Mass: 467.22
• IUPAC Name: 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
• SMILES: CC(C)NC(=O)c1ccc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)cc1
• InChI: InChI=1S/C26H33N3O3S/c1-18(2)27-25(31)19-13-15-20(16-14-19)28-26(32)22-11-7-8-12-23(22)33-17-24(30)29(3)21-9-5-4-6-10-21/h7-8,11-16,18,21H,4-6,9-10,17H2,1-3H3,(H,27,31)(H,28,32)
• InChIKey: XXIWEWSVLVPHOE-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.64
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide?

The IUPAC name of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide (CID 55887920) is 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide.

What is the SMILES notation for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide?

The canonical SMILES for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide is CC(C)NC(=O)c1ccc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)cc1.

What is the InChIKey of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide?

The InChIKey is XXIWEWSVLVPHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3S/c1-18(2)27-25(31)19-13-15-20(16-14-19)28-26(32)22-11-7-8-12-23(22)33-17-24(30)29(3)21-9-5-4-6-10-21/h7-8,11-16,18,21H,4-6,9-10,17H2,1-3H3,(H,27,31)(H,28,32).

What are the key properties of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide?

2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 467.64 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 55887920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).