N-(oxolan-3-yl)-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]acetamide

C21H30F3N3O4S — CID 25235550

IUPACN-(oxolan-3-yl)-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]acetamide
SMILESCC(C)N(C1CCN(CC(=O)NC2CCOC2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H30F3N3O4S/c1-15(2)27(32(29,30)19-5-3-4-16(12-19)21(22,23)24)18-6-9-26(10-7-18)13-20(28)25-17-8-11-31-14-17/h3-5,12,15,17-18H,6-11,13-14H2,1-2H3,(H,25,28)
InChIKeyHRPYPNXGZOMZGY-UHFFFAOYSA-N
MW477.55 g/mol
LogP2.47
Rot. Bonds7

About N-(oxolan-3-yl)-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]acetamide

N-(oxolan-3-yl)-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]acetamide (PubChem CID 25235550) has the molecular formula C21H30F3N3O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-(oxolan-3-yl)-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(oxolan-3-yl)-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]acetamide
PubChem CID25235550
Molecular FormulaC21H30F3N3O4S
Molecular Weight477.55 g/mol
Exact Mass477.19
IUPAC NameN-(oxolan-3-yl)-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]acetamide
SMILESCC(C)N(C1CCN(CC(=O)NC2CCOC2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H30F3N3O4S/c1-15(2)27(32(29,30)19-5-3-4-16(12-19)21(22,23)24)18-6-9-26(10-7-18)13-20(28)25-17-8-11-31-14-17/h3-5,12,15,17-18H,6-11,13-14H2,1-2H3,(H,25,28)
InChIKeyHRPYPNXGZOMZGY-UHFFFAOYSA-N
XLogP2.47
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]acetamide?
The IUPAC name of N-(oxolan-3-yl)-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]acetamide (CID 25235550) is N-(oxolan-3-yl)-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(oxolan-3-yl)-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]acetamide?
The canonical SMILES for N-(oxolan-3-yl)-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]acetamide is CC(C)N(C1CCN(CC(=O)NC2CCOC2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(oxolan-3-yl)-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]acetamide?
The InChIKey is HRPYPNXGZOMZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F3N3O4S/c1-15(2)27(32(29,30)19-5-3-4-16(12-19)21(22,23)24)18-6-9-26(10-7-18)13-20(28)25-17-8-11-31-14-17/h3-5,12,15,17-18H,6-11,13-14H2,1-2H3,(H,25,28).
What are the key properties of N-(oxolan-3-yl)-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]acetamide?
N-(oxolan-3-yl)-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]acetamide has a molecular weight of 477.55 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 25235550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).