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

C32H35ClF3N3O3S — CID 11365671

IUPAC3-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESO=C(CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1)NC1CCCc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C32H35ClF3N3O3S/c33-26-13-11-23(12-14-26)30(38-43(41,42)27-8-5-7-25(19-27)32(34,35)36)20-31(40)37-29-9-4-6-24-18-22(10-15-28(24)29)21-39-16-2-1-3-17-39/h5,7-8,10-15,18-19,29-30,38H,1-4,6,9,16-17,20-21H2,(H,37,40)
InChIKeyFGXGFQSDLQNIKB-UHFFFAOYSA-N
MW634.16 g/mol
LogP6.95
Rot. Bonds9

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

3-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 11365671) has the molecular formula C32H35ClF3N3O3S and a molecular weight of 634.16 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID11365671
Molecular FormulaC32H35ClF3N3O3S
Molecular Weight634.16 g/mol
Exact Mass633.20
IUPAC Name3-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESO=C(CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1)NC1CCCc2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C32H35ClF3N3O3S/c33-26-13-11-23(12-14-26)30(38-43(41,42)27-8-5-7-25(19-27)32(34,35)36)20-31(40)37-29-9-4-6-24-18-22(10-15-28(24)29)21-39-16-2-1-3-17-39/h5,7-8,10-15,18-19,29-30,38H,1-4,6,9,16-17,20-21H2,(H,37,40)
InChIKeyFGXGFQSDLQNIKB-UHFFFAOYSA-N
XLogP6.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.16
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-phenyl-N-[(1R)-6-(3-pyrrolidin-1-ylprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 11387915
(R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 16108969
N-((R)-6-((cyclopropylmethylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
CID 11203826
N-((R)-6-((tert-butylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(4-methyl-3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
CID 11204003
N-((R)-6-((isopropylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
CID 11214998
N-((R)-6-((isobutylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
CID 11215189
N-((R)-6-((cyclobutylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
CID 11238372
N-((R)-6-((tert-butylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
CID 11284458
N-((R)-6-((neopentylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
CID 11307733
N-((R)-6-((cyclopropylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-(trifluoromethyl)phenylsulfonyl)piperidin-2-yl)acetamide
CID 11330286
(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
N-((R)-6-((tert-butylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(3-chloro-4-methylphenylsulfonyl)piperidin-2-yl)acetamide
CID 11444165

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 11365671) is 3-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is O=C(CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1)NC1CCCc2cc(CN3CCCCC3)ccc21.
What is the InChIKey of 3-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is FGXGFQSDLQNIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClF3N3O3S/c33-26-13-11-23(12-14-26)30(38-43(41,42)27-8-5-7-25(19-27)32(34,35)36)20-31(40)37-29-9-4-6-24-18-22(10-15-28(24)29)21-39-16-2-1-3-17-39/h5,7-8,10-15,18-19,29-30,38H,1-4,6,9,16-17,20-21H2,(H,37,40).
What are the key properties of 3-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
3-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 634.16 g/mol, XLogP of 6.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 11365671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).