(1R)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

C23H36FN3O4S — CID 59582638

About (1R)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

(1R)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (PubChem CID 59582638) has the molecular formula C23H36FN3O4S and a molecular weight of 469.62 g/mol. Its IUPAC name is (1R)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: (1R)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
• PubChem CID: 59582638
• Molecular Formula: C23H36FN3O4S
• Molecular Weight: 469.62 g/mol
• Exact Mass: 469.24
• IUPAC Name: (1R)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
• SMILES: CC1C[C@H](C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2F)CCC1NS(=O)(=O)C(C)C
• InChI: InChI=1S/C23H36FN3O4S/c1-14(2)32(29,30)26-21-8-6-18(10-15(21)3)23(28)25-22-9-7-19(11-20(22)24)27-12-16(4)31-17(5)13-27/h7,9,11,14-18,21,26H,6,8,10,12-13H2,1-5H3,(H,25,28)/t15?,16-,17+,18-,21?/m1/s1
• InChIKey: UESCYGKZFBKZJJ-PAJWEWNKSA-N
• XLogP: 3.51
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.62
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?

The IUPAC name of (1R)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (CID 59582638) is (1R)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.

What is the SMILES notation for (1R)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?

The canonical SMILES for (1R)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is CC1C[C@H](C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2F)CCC1NS(=O)(=O)C(C)C.

What is the InChIKey of (1R)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?

The InChIKey is UESCYGKZFBKZJJ-PAJWEWNKSA-N. The full InChI is InChI=1S/C23H36FN3O4S/c1-14(2)32(29,30)26-21-8-6-18(10-15(21)3)23(28)25-22-9-7-19(11-20(22)24)27-12-16(4)31-17(5)13-27/h7,9,11,14-18,21,26H,6,8,10,12-13H2,1-5H3,(H,25,28)/t15?,16-,17+,18-,21?/m1/s1.

What are the key properties of (1R)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?

(1R)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide has a molecular weight of 469.62 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-3-methyl-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 59582638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).