4-[tert-butyl(dimethyl)silyl]oxy-N-[3-(3-cyclopropyl-1,2-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

C40H56N2O3SSi — CID 142430660

About 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-(3-cyclopropyl-1,2-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

4-[tert-butyl(dimethyl)silyl]oxy-N-[3-(3-cyclopropyl-1,2-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (PubChem CID 142430660) has the molecular formula C40H56N2O3SSi and a molecular weight of 673.05 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-(3-cyclopropyl-1,2-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-(3-cyclopropyl-1,2-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
• PubChem CID: 142430660
• Molecular Formula: C40H56N2O3SSi
• Molecular Weight: 673.05 g/mol
• Exact Mass: 672.38
• IUPAC Name: 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-(3-cyclopropyl-1,2-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
• SMILES: COc1ccc(C2CCC(CN(C(=O)C3CCC(O[Si](C)(C)C(C)(C)C)CC3)c3cccc(-c4cc(C5CC5)ns4)c3)CC2)cc1C
• InChI: InChI=1S/C40H56N2O3SSi/c1-27-23-32(19-22-37(27)44-5)29-13-11-28(12-14-29)26-42(34-10-8-9-33(24-34)38-25-36(41-46-38)30-15-16-30)39(43)31-17-20-35(21-18-31)45-47(6,7)40(2,3)4/h8-10,19,22-25,28-31,35H,11-18,20-21,26H2,1-7H3
• InChIKey: CHJSNCAGDGCXLQ-UHFFFAOYSA-N
• XLogP: 10.89
• TPSA: 51.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.05
LogP ≤ 5	10.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-(3-cyclopropyl-1,2-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?

The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-(3-cyclopropyl-1,2-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (CID 142430660) is 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-(3-cyclopropyl-1,2-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.

What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-(3-cyclopropyl-1,2-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?

The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-(3-cyclopropyl-1,2-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is COc1ccc(C2CCC(CN(C(=O)C3CCC(O[Si](C)(C)C(C)(C)C)CC3)c3cccc(-c4cc(C5CC5)ns4)c3)CC2)cc1C.

What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-(3-cyclopropyl-1,2-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?

The InChIKey is CHJSNCAGDGCXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H56N2O3SSi/c1-27-23-32(19-22-37(27)44-5)29-13-11-28(12-14-29)26-42(34-10-8-9-33(24-34)38-25-36(41-46-38)30-15-16-30)39(43)31-17-20-35(21-18-31)45-47(6,7)40(2,3)4/h8-10,19,22-25,28-31,35H,11-18,20-21,26H2,1-7H3.

What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-(3-cyclopropyl-1,2-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?

4-[tert-butyl(dimethyl)silyl]oxy-N-[3-(3-cyclopropyl-1,2-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 673.05 g/mol, XLogP of 10.89, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[tert-butyl(dimethyl)silyl]oxy-N-[3-(3-cyclopropyl-1,2-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 142430660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).