3-[methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-3-phenyl-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C33H38F3N3O3S — CID 68930745

IUPAC3-[methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-3-phenyl-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCN(C(CC(=O)NC1CCCc2cc(CN3CCCCC3)ccc21)c1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C33H38F3N3O3S/c1-38(43(41,42)28-14-9-13-27(21-28)33(34,35)36)31(25-10-4-2-5-11-25)22-32(40)37-30-15-8-12-26-20-24(16-17-29(26)30)23-39-18-6-3-7-19-39/h2,4-5,9-11,13-14,16-17,20-21,30-31H,3,6-8,12,15,18-19,22-23H2,1H3,(H,37,40)
InChIKeyIPLFNHWQUYNTAB-UHFFFAOYSA-N
MW613.75 g/mol
LogP6.64
Rot. Bonds9

About 3-[methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-3-phenyl-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

3-[methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-3-phenyl-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 68930745) has the molecular formula C33H38F3N3O3S and a molecular weight of 613.75 g/mol. Its IUPAC name is 3-[methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-3-phenyl-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-[methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-3-phenyl-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID68930745
Molecular FormulaC33H38F3N3O3S
Molecular Weight613.75 g/mol
Exact Mass613.26
IUPAC Name3-[methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-3-phenyl-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCN(C(CC(=O)NC1CCCc2cc(CN3CCCCC3)ccc21)c1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C33H38F3N3O3S/c1-38(43(41,42)28-14-9-13-27(21-28)33(34,35)36)31(25-10-4-2-5-11-25)22-32(40)37-30-15-8-12-26-20-24(16-17-29(26)30)23-39-18-6-3-7-19-39/h2,4-5,9-11,13-14,16-17,20-21,30-31H,3,6-8,12,15,18-19,22-23H2,1H3,(H,37,40)
InChIKeyIPLFNHWQUYNTAB-UHFFFAOYSA-N
XLogP6.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.75
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-phenyl-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 11284846
(3R)-4,4,4-trifluoro-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide
CID 11635676
CID 87738171
CID 87738171
N-[6-(2,5-dihydropyrrol-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-phenyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 68932209
(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
CID 154292506
(3R)-3-[(2-amino-2-oxoethyl)-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1R)-6-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-phenylpropanamide
CID 59792172
(3R)-3-phenyl-N-[(1R)-6-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 59792105
(3R)-N-[(1R)-6-[(3,3-dimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4,4,4-trifluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide
CID 154211926
(3R)-3-phenyl-N-[(1R)-6-(3-piperidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 11331054
(3S)-N-[(1R)-6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-phenyl-4-[3-(trifluoromethyl)phenyl]sulfonylbutanamide
CID 11664296
(3R)-3-[(3,5-difluorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 154260878
(3R)-N-[6-(3-aminopropyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-phenyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 59792168

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-3-phenyl-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 3-[methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-3-phenyl-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 68930745) is 3-[methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-3-phenyl-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 3-[methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-3-phenyl-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 3-[methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-3-phenyl-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is CN(C(CC(=O)NC1CCCc2cc(CN3CCCCC3)ccc21)c1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-3-phenyl-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is IPLFNHWQUYNTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38F3N3O3S/c1-38(43(41,42)28-14-9-13-27(21-28)33(34,35)36)31(25-10-4-2-5-11-25)22-32(40)37-30-15-8-12-26-20-24(16-17-29(26)30)23-39-18-6-3-7-19-39/h2,4-5,9-11,13-14,16-17,20-21,30-31H,3,6-8,12,15,18-19,22-23H2,1H3,(H,37,40).
What are the key properties of 3-[methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-3-phenyl-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
3-[methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-3-phenyl-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 613.75 g/mol, XLogP of 6.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-3-phenyl-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 68930745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).