OVNPSIBLDIMBTL-RPBOFIJWSA-N

C₂₈H₃₃F₆N₃O₃S — CID 154292506

About OVNPSIBLDIMBTL-RPBOFIJWSA-N

OVNPSIBLDIMBTL-RPBOFIJWSA-N (PubChem CID 154292506) has the molecular formula C₂₈H₃₃F₆N₃O₃S and a molecular weight of 605.65 g/mol. Its IUPAC name is (3S)-4,4,4-trifluoro-N-[(1R)-6-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide.

Molecular Properties

• Compound Name: OVNPSIBLDIMBTL-RPBOFIJWSA-N
• PubChem CID: 154292506
• Molecular Formula: C₂₈H₃₃F₆N₃O₃S
• Molecular Weight: 605.65 g/mol
• Exact Mass: 605.21
• IUPAC Name: (3S)-4,4,4-trifluoro-N-[(1R)-6-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide
• SMILES: CC1CCN(Cc2ccc3c(c2)CCC[C@H]3NC(=O)C[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C(F)(F)F)CC1
• InChI: InChI=1S/C28H33F6N3O3S/c1-18-10-12-37(13-11-18)17-19-8-9-23-20(14-19)4-2-7-24(23)35-26(38)16-25(28(32,33)34)36-41(39,40)22-6-3-5-21(15-22)27(29,30)31/h3,5-6,8-9,14-15,18,24-25,36H,2,4,7,10-13,16-17H2,1H3,(H,35,38)/t24-,25+/m1/s1
• InChIKey: OVNPSIBLDIMBTL-RPBOFIJWSA-N
• XLogP: 5.73
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.65
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of OVNPSIBLDIMBTL-RPBOFIJWSA-N?

The IUPAC name of OVNPSIBLDIMBTL-RPBOFIJWSA-N (CID 154292506) is (3S)-4,4,4-trifluoro-N-[(1R)-6-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide.

What is the SMILES notation for OVNPSIBLDIMBTL-RPBOFIJWSA-N?

The canonical SMILES for OVNPSIBLDIMBTL-RPBOFIJWSA-N is CC1CCN(Cc2ccc3c(c2)CCC[C@H]3NC(=O)C[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C(F)(F)F)CC1.

What is the InChIKey of OVNPSIBLDIMBTL-RPBOFIJWSA-N?

The InChIKey is OVNPSIBLDIMBTL-RPBOFIJWSA-N. The full InChI is InChI=1S/C28H33F6N3O3S/c1-18-10-12-37(13-11-18)17-19-8-9-23-20(14-19)4-2-7-24(23)35-26(38)16-25(28(32,33)34)36-41(39,40)22-6-3-5-21(15-22)27(29,30)31/h3,5-6,8-9,14-15,18,24-25,36H,2,4,7,10-13,16-17H2,1H3,(H,35,38)/t24-,25+/m1/s1.

What are the key properties of OVNPSIBLDIMBTL-RPBOFIJWSA-N?

OVNPSIBLDIMBTL-RPBOFIJWSA-N has a molecular weight of 605.65 g/mol, XLogP of 5.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for OVNPSIBLDIMBTL-RPBOFIJWSA-N is sourced from PubChem (CID 154292506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154292506 — identifiers, structure, computed properties (public domain)

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