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

C32H37F3N4O4S — CID 11377136

IUPAC(3R)-3-(6-methoxy-3-pyridinyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCOc1ccc([C@@H](CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)NS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C32H37F3N4O4S/c1-43-31-14-12-24(20-36-31)29(38-44(41,42)26-9-6-8-25(18-26)32(33,34)35)19-30(40)37-28-10-5-7-23-17-22(11-13-27(23)28)21-39-15-3-2-4-16-39/h6,8-9,11-14,17-18,20,28-29,38H,2-5,7,10,15-16,19,21H2,1H3,(H,37,40)/t28-,29-/m1/s1
InChIKeyPVVKCELALQSRSO-FQLXRVMXSA-N
MW630.73 g/mol
LogP5.70
Rot. Bonds10

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

(3R)-3-(6-methoxy-3-pyridinyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 11377136) has the molecular formula C32H37F3N4O4S and a molecular weight of 630.73 g/mol. Its IUPAC name is (3R)-3-(6-methoxy-3-pyridinyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(3R)-3-(6-methoxy-3-pyridinyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID11377136
Molecular FormulaC32H37F3N4O4S
Molecular Weight630.73 g/mol
Exact Mass630.25
IUPAC Name(3R)-3-(6-methoxy-3-pyridinyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCOc1ccc([C@@H](CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)NS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C32H37F3N4O4S/c1-43-31-14-12-24(20-36-31)29(38-44(41,42)26-9-6-8-25(18-26)32(33,34)35)19-30(40)37-28-10-5-7-23-17-22(11-13-27(23)28)21-39-15-3-2-4-16-39/h6,8-9,11-14,17-18,20,28-29,38H,2-5,7,10,15-16,19,21H2,1H3,(H,37,40)/t28-,29-/m1/s1
InChIKeyPVVKCELALQSRSO-FQLXRVMXSA-N
XLogP5.70
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.73
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-3-(6-methoxy-3-pyridinyl)-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 (3R)-3-(6-methoxy-3-pyridinyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of (3R)-3-(6-methoxy-3-pyridinyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 11377136) is (3R)-3-(6-methoxy-3-pyridinyl)-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 (3R)-3-(6-methoxy-3-pyridinyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for (3R)-3-(6-methoxy-3-pyridinyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is COc1ccc([C@@H](CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc32)NS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of (3R)-3-(6-methoxy-3-pyridinyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is PVVKCELALQSRSO-FQLXRVMXSA-N. The full InChI is InChI=1S/C32H37F3N4O4S/c1-43-31-14-12-24(20-36-31)29(38-44(41,42)26-9-6-8-25(18-26)32(33,34)35)19-30(40)37-28-10-5-7-23-17-22(11-13-27(23)28)21-39-15-3-2-4-16-39/h6,8-9,11-14,17-18,20,28-29,38H,2-5,7,10,15-16,19,21H2,1H3,(H,37,40)/t28-,29-/m1/s1.
What are the key properties of (3R)-3-(6-methoxy-3-pyridinyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
(3R)-3-(6-methoxy-3-pyridinyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 630.73 g/mol, XLogP of 5.70, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-methoxy-3-pyridinyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 11377136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).