(3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C35H39N3O3S — CID 11467345

About (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

(3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 11467345) has the molecular formula C35H39N3O3S and a molecular weight of 581.78 g/mol. Its IUPAC name is (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

• Compound Name: (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
• PubChem CID: 11467345
• Molecular Formula: C35H39N3O3S
• Molecular Weight: 581.78 g/mol
• Exact Mass: 581.27
• IUPAC Name: (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
• SMILES: O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCCc2cc(CN3CCCCC3)ccc21
• InChI: InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34+/m0/s1
• InChIKey: DDNUEGGLAHLSLQ-SZAHLOSFSA-N
• XLogP: 6.43
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.78
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

The IUPAC name of (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 11467345) is (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

What is the SMILES notation for (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

The canonical SMILES for (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@H]1CCCc2cc(CN3CCCCC3)ccc21.

What is the InChIKey of (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

The InChIKey is DDNUEGGLAHLSLQ-SZAHLOSFSA-N. The full InChI is InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34+/m0/s1.

What are the key properties of (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

(3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 581.78 g/mol, XLogP of 6.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-(naphthalen-2-ylsulfonylamino)-3-phenyl-N-[(1S)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 11467345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).