CID 175825031

C₂₃H₃₃N₅NaO₃S — CID 175825031

About CID 175825031

CID 175825031 (PubChem CID 175825031) has the molecular formula C₂₃H₃₃N₅NaO₃S and a molecular weight of 482.61 g/mol.

Molecular Properties

• Compound Name: CID 175825031
• PubChem CID: 175825031
• Molecular Formula: C₂₃H₃₃N₅NaO₃S
• Molecular Weight: 482.61 g/mol
• Exact Mass: 482.22
• IUPAC Name: —
• SMILES: CC(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CCN(C)C.[Na]
• InChI: InChI=1S/C23H33N5O3S.Na/c1-15(2)28-18(11-12-27(3)4)14-21(25-28)32(30,31)26-23(29)24-22-19-9-5-7-16(19)13-17-8-6-10-20(17)22;/h13-15H,5-12H2,1-4H3,(H2,24,26,29)
• InChIKey: OREOLSDCYAFWBT-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.61
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of CID 175825031?

The IUPAC name of CID 175825031 (CID 175825031) is not available.

What is the SMILES notation for CID 175825031?

The canonical SMILES for CID 175825031 is CC(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1CCN(C)C.[Na].

What is the InChIKey of CID 175825031?

The InChIKey is OREOLSDCYAFWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3S.Na/c1-15(2)28-18(11-12-27(3)4)14-21(25-28)32(30,31)26-23(29)24-22-19-9-5-7-16(19)13-17-8-6-10-20(17)22;/h13-15H,5-12H2,1-4H3,(H2,24,26,29);.

What are the key properties of CID 175825031?

CID 175825031 has a molecular weight of 482.61 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 175825031 is sourced from PubChem (CID 175825031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175825031 — identifiers, structure, computed properties (public domain)

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