N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

C48H62F3N5O10S2 — CID 157146006

About N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (PubChem CID 157146006) has the molecular formula C48H62F3N5O10S2 and a molecular weight of 990.18 g/mol. Its IUPAC name is N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
• PubChem CID: 157146006
• Molecular Formula: C48H62F3N5O10S2
• Molecular Weight: 990.18 g/mol
• Exact Mass: 989.39
• IUPAC Name: N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
• SMILES: CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(C(F)(F)F)cc2)C3=O)CC1.CC1CC(Oc2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)C)CC3)cc2)CC(C)O1
• InChI: InChI=1S/C25H26F3N3O5S.C23H36N2O5S/c1-14(2)37(35,36)30-17-7-3-15(4-8-17)22(32)29-18-9-12-20-21(13-18)24(34)31(23(20)33)19-10-5-16(6-11-19)25(26,27)28;1-15(2)31(27,28)25-20-7-5-18(6-8-20)23(26)24-19-9-11-21(12-10-19)30-22-13-16(3)29-17(4)14-22/h5-6,9-15,17,30H,3-4,7-8H2,1-2H3,(H,29,32);9-12,15-18,20,22,25H,5-8,13-14H2,1-4H3,(H,24,26)
• InChIKey: AKSCHKQVQNGEBO-UHFFFAOYSA-N
• XLogP: 8.18
• TPSA: 206.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	990.18
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?

The IUPAC name of N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (CID 157146006) is N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.

What is the SMILES notation for N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?

The canonical SMILES for N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(C(F)(F)F)cc2)C3=O)CC1.CC1CC(Oc2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)C)CC3)cc2)CC(C)O1.

What is the InChIKey of N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?

The InChIKey is AKSCHKQVQNGEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O5S.C23H36N2O5S/c1-14(2)37(35,36)30-17-7-3-15(4-8-17)22(32)29-18-9-12-20-21(13-18)24(34)31(23(20)33)19-10-5-16(6-11-19)25(26,27)28;1-15(2)31(27,28)25-20-7-5-18(6-8-20)23(26)24-19-9-11-21(12-10-19)30-22-13-16(3)29-17(4)14-22/h5-6,9-15,17,30H,3-4,7-8H2,1-2H3,(H,29,32);9-12,15-18,20,22,25H,5-8,13-14H2,1-4H3,(H,24,26).

What are the key properties of N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?

N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide has a molecular weight of 990.18 g/mol, XLogP of 8.18, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 157146006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).