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

C24H24F7N3O3S — CID 24883189

IUPAC2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C24H24F7N3O3S/c25-21-7-4-16(13-20(21)24(29,30)31)32-22(35)14-33-10-8-18(9-11-33)34(17-5-6-17)38(36,37)19-3-1-2-15(12-19)23(26,27)28/h1-4,7,12-13,17-18H,5-6,8-11,14H2,(H,32,35)
InChIKeyTXZIHOJVULQICA-UHFFFAOYSA-N
MW567.53 g/mol
LogP5.12
Rot. Bonds7

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

2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 24883189) has the molecular formula C24H24F7N3O3S and a molecular weight of 567.53 g/mol. Its IUPAC name is 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID24883189
Molecular FormulaC24H24F7N3O3S
Molecular Weight567.53 g/mol
Exact Mass567.14
IUPAC Name2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C24H24F7N3O3S/c25-21-7-4-16(13-20(21)24(29,30)31)32-22(35)14-33-10-8-18(9-11-33)34(17-5-6-17)38(36,37)19-3-1-2-15(12-19)23(26,27)28/h1-4,7,12-13,17-18H,5-6,8-11,14H2,(H,32,35)
InChIKeyTXZIHOJVULQICA-UHFFFAOYSA-N
XLogP5.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.53
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide (CID 24883189) is 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is TXZIHOJVULQICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F7N3O3S/c25-21-7-4-16(13-20(21)24(29,30)31)32-22(35)14-33-10-8-18(9-11-33)34(17-5-6-17)38(36,37)19-3-1-2-15(12-19)23(26,27)28/h1-4,7,12-13,17-18H,5-6,8-11,14H2,(H,32,35).
What are the key properties of 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 567.53 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24883189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).