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

C26H33F3N4O4S — CID 68661082

IUPAC2-[[1-oxo-3-phenyl-1-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propan-2-yl]amino]acetamide
SMILESCC(C)N(C1CCN(C(=O)C(Cc2ccccc2)NCC(N)=O)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H33F3N4O4S/c1-18(2)33(38(36,37)22-10-6-9-20(16-22)26(27,28)29)21-11-13-32(14-12-21)25(35)23(31-17-24(30)34)15-19-7-4-3-5-8-19/h3-10,16,18,21,23,31H,11-15,17H2,1-2H3,(H2,30,34)
InChIKeyYMMRVNWWZZHEST-UHFFFAOYSA-N
MW554.64 g/mol
LogP2.78
Rot. Bonds10

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

2-[[1-oxo-3-phenyl-1-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propan-2-yl]amino]acetamide (PubChem CID 68661082) has the molecular formula C26H33F3N4O4S and a molecular weight of 554.64 g/mol. Its IUPAC name is 2-[[1-oxo-3-phenyl-1-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propan-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[1-oxo-3-phenyl-1-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propan-2-yl]amino]acetamide
PubChem CID68661082
Molecular FormulaC26H33F3N4O4S
Molecular Weight554.64 g/mol
Exact Mass554.22
IUPAC Name2-[[1-oxo-3-phenyl-1-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propan-2-yl]amino]acetamide
SMILESCC(C)N(C1CCN(C(=O)C(Cc2ccccc2)NCC(N)=O)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H33F3N4O4S/c1-18(2)33(38(36,37)22-10-6-9-20(16-22)26(27,28)29)21-11-13-32(14-12-21)25(35)23(31-17-24(30)34)15-19-7-4-3-5-8-19/h3-10,16,18,21,23,31H,11-15,17H2,1-2H3,(H2,30,34)
InChIKeyYMMRVNWWZZHEST-UHFFFAOYSA-N
XLogP2.78
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.64
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-oxo-3-phenyl-1-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propan-2-yl]amino]acetamide?
The IUPAC name of 2-[[1-oxo-3-phenyl-1-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propan-2-yl]amino]acetamide (CID 68661082) is 2-[[1-oxo-3-phenyl-1-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propan-2-yl]amino]acetamide.
What is the SMILES notation for 2-[[1-oxo-3-phenyl-1-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propan-2-yl]amino]acetamide?
The canonical SMILES for 2-[[1-oxo-3-phenyl-1-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propan-2-yl]amino]acetamide is CC(C)N(C1CCN(C(=O)C(Cc2ccccc2)NCC(N)=O)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[1-oxo-3-phenyl-1-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propan-2-yl]amino]acetamide?
The InChIKey is YMMRVNWWZZHEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N4O4S/c1-18(2)33(38(36,37)22-10-6-9-20(16-22)26(27,28)29)21-11-13-32(14-12-21)25(35)23(31-17-24(30)34)15-19-7-4-3-5-8-19/h3-10,16,18,21,23,31H,11-15,17H2,1-2H3,(H2,30,34).
What are the key properties of 2-[[1-oxo-3-phenyl-1-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propan-2-yl]amino]acetamide?
2-[[1-oxo-3-phenyl-1-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propan-2-yl]amino]acetamide has a molecular weight of 554.64 g/mol, XLogP of 2.78, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-oxo-3-phenyl-1-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propan-2-yl]amino]acetamide is sourced from PubChem (CID 68661082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).