4-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-2-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]-1-N-methylcyclohexane-1,4-dicarboxamide

C34H43N3O4S — CID 175700375

About 4-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-2-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]-1-N-methylcyclohexane-1,4-dicarboxamide

4-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-2-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]-1-N-methylcyclohexane-1,4-dicarboxamide (PubChem CID 175700375) has the molecular formula C34H43N3O4S and a molecular weight of 589.80 g/mol. Its IUPAC name is 4-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-2-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]-1-N-methylcyclohexane-1,4-dicarboxamide.

Molecular Properties

• Compound Name: 4-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-2-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]-1-N-methylcyclohexane-1,4-dicarboxamide
• PubChem CID: 175700375
• Molecular Formula: C34H43N3O4S
• Molecular Weight: 589.80 g/mol
• Exact Mass: 589.30
• IUPAC Name: 4-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-2-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]-1-N-methylcyclohexane-1,4-dicarboxamide
• SMILES: CNC(=O)C1CCC(C(=O)NCC2CCC(c3ccc(OC)c(C)c3)CC2)CC1c1cccc(-c2cnc(OC)s2)c1
• InChI: InChI=1S/C34H43N3O4S/c1-21-16-24(13-15-30(21)40-3)23-10-8-22(9-11-23)19-36-32(38)27-12-14-28(33(39)35-2)29(18-27)25-6-5-7-26(17-25)31-20-37-34(41-4)42-31/h5-7,13,15-17,20,22-23,27-29H,8-12,14,18-19H2,1-4H3,(H,35,39)(H,36,38)
• InChIKey: RBSKIZRQGQXCQT-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 89.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.80
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-2-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]-1-N-methylcyclohexane-1,4-dicarboxamide?

The IUPAC name of 4-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-2-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]-1-N-methylcyclohexane-1,4-dicarboxamide (CID 175700375) is 4-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-2-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]-1-N-methylcyclohexane-1,4-dicarboxamide.

What is the SMILES notation for 4-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-2-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]-1-N-methylcyclohexane-1,4-dicarboxamide?

The canonical SMILES for 4-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-2-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]-1-N-methylcyclohexane-1,4-dicarboxamide is CNC(=O)C1CCC(C(=O)NCC2CCC(c3ccc(OC)c(C)c3)CC2)CC1c1cccc(-c2cnc(OC)s2)c1.

What is the InChIKey of 4-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-2-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]-1-N-methylcyclohexane-1,4-dicarboxamide?

The InChIKey is RBSKIZRQGQXCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N3O4S/c1-21-16-24(13-15-30(21)40-3)23-10-8-22(9-11-23)19-36-32(38)27-12-14-28(33(39)35-2)29(18-27)25-6-5-7-26(17-25)31-20-37-34(41-4)42-31/h5-7,13,15-17,20,22-23,27-29H,8-12,14,18-19H2,1-4H3,(H,35,39)(H,36,38).

What are the key properties of 4-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-2-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]-1-N-methylcyclohexane-1,4-dicarboxamide?

4-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-2-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]-1-N-methylcyclohexane-1,4-dicarboxamide has a molecular weight of 589.80 g/mol, XLogP of 6.47, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-2-[3-(2-methoxy-1,3-thiazol-5-yl)phenyl]-1-N-methylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 175700375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).