(2R)-N-[3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]oxolane-2-carboxamide

C25H36N4O6S — CID 10279645

About (2R)-N-[3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]oxolane-2-carboxamide

(2R)-N-[3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]oxolane-2-carboxamide (PubChem CID 10279645) has the molecular formula C25H36N4O6S and a molecular weight of 520.65 g/mol. Its IUPAC name is (2R)-N-[3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]oxolane-2-carboxamide
• PubChem CID: 10279645
• Molecular Formula: C25H36N4O6S
• Molecular Weight: 520.65 g/mol
• Exact Mass: 520.24
• IUPAC Name: (2R)-N-[3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]oxolane-2-carboxamide
• SMILES: O=C1CN(S(=O)(=O)c2ccccn2)CCCC1NC(=O)C(CC1CCCCC1)NC(=O)[C@H]1CCCO1
• InChI: InChI=1S/C25H36N4O6S/c30-21-17-29(36(33,34)23-12-4-5-13-26-23)14-6-10-19(21)27-24(31)20(16-18-8-2-1-3-9-18)28-25(32)22-11-7-15-35-22/h4-5,12-13,18-20,22H,1-3,6-11,14-17H2,(H,27,31)(H,28,32)/t19?,20?,22-/m1/s1
• InChIKey: DBOYFDWWHUOJED-QETWGEEDSA-N
• XLogP: 1.55
• TPSA: 134.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.65
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]oxolane-2-carboxamide?

The IUPAC name of (2R)-N-[3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]oxolane-2-carboxamide (CID 10279645) is (2R)-N-[3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]oxolane-2-carboxamide.

What is the SMILES notation for (2R)-N-[3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]oxolane-2-carboxamide?

The canonical SMILES for (2R)-N-[3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]oxolane-2-carboxamide is O=C1CN(S(=O)(=O)c2ccccn2)CCCC1NC(=O)C(CC1CCCCC1)NC(=O)[C@H]1CCCO1.

What is the InChIKey of (2R)-N-[3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]oxolane-2-carboxamide?

The InChIKey is DBOYFDWWHUOJED-QETWGEEDSA-N. The full InChI is InChI=1S/C25H36N4O6S/c30-21-17-29(36(33,34)23-12-4-5-13-26-23)14-6-10-19(21)27-24(31)20(16-18-8-2-1-3-9-18)28-25(32)22-11-7-15-35-22/h4-5,12-13,18-20,22H,1-3,6-11,14-17H2,(H,27,31)(H,28,32)/t19?,20?,22-/m1/s1.

What are the key properties of (2R)-N-[3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]oxolane-2-carboxamide?

(2R)-N-[3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]oxolane-2-carboxamide has a molecular weight of 520.65 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[3-cyclohexyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]propan-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 10279645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).