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

C32H35ClF3N3O3S — CID 59792263

IUPAC3-(4-chlorophenyl)-N-[(1R)-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)N[C@@H]1CCCc2cc(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)/t29-,30?/m1/s1
InChIKeyFGXGFQSDLQNIKB-IDCGIGBZSA-N
MW634.16 g/mol
LogP6.95
Rot. Bonds9

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

3-(4-chlorophenyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 59792263) has the molecular formula C32H35ClF3N3O3S and a molecular weight of 634.16 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID59792263
Molecular FormulaC32H35ClF3N3O3S
Molecular Weight634.16 g/mol
Exact Mass633.20
IUPAC Name3-(4-chlorophenyl)-N-[(1R)-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)N[C@@H]1CCCc2cc(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)/t29-,30?/m1/s1
InChIKeyFGXGFQSDLQNIKB-IDCGIGBZSA-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

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(1R)-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-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 59792263) is 3-(4-chlorophenyl)-N-[(1R)-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-[(1R)-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-[(1R)-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)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is FGXGFQSDLQNIKB-IDCGIGBZSA-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)/t29-,30?/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
3-(4-chlorophenyl)-N-[(1R)-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-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 59792263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).