3-hydroxy-3-(1-naphthalen-2-ylsulfonylcyclopropyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C32H38N2O4S — CID 58646001

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

3-hydroxy-3-(1-naphthalen-2-ylsulfonylcyclopropyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 58646001) has the molecular formula C32H38N2O4S and a molecular weight of 546.73 g/mol. Its IUPAC name is 3-hydroxy-3-(1-naphthalen-2-ylsulfonylcyclopropyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

• Compound Name: 3-hydroxy-3-(1-naphthalen-2-ylsulfonylcyclopropyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
• PubChem CID: 58646001
• Molecular Formula: C32H38N2O4S
• Molecular Weight: 546.73 g/mol
• Exact Mass: 546.26
• IUPAC Name: 3-hydroxy-3-(1-naphthalen-2-ylsulfonylcyclopropyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
• SMILES: O=C(CC(O)C1(S(=O)(=O)c2ccc3ccccc3c2)CC1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21
• InChI: InChI=1S/C32H38N2O4S/c35-30(32(15-16-32)39(37,38)27-13-12-24-7-2-3-8-25(24)20-27)21-31(36)33-29-10-6-9-26-19-23(11-14-28(26)29)22-34-17-4-1-5-18-34/h2-3,7-8,11-14,19-20,29-30,35H,1,4-6,9-10,15-18,21-22H2,(H,33,36)/t29-,30?/m1/s1
• InChIKey: SGXAQVGTNUTHBY-IDCGIGBZSA-N
• XLogP: 5.08
• TPSA: 86.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.73
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-hydroxy-3-(1-naphthalen-2-ylsulfonylcyclopropyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 58646001) is 3-hydroxy-3-(1-naphthalen-2-ylsulfonylcyclopropyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

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

The canonical SMILES for 3-hydroxy-3-(1-naphthalen-2-ylsulfonylcyclopropyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is O=C(CC(O)C1(S(=O)(=O)c2ccc3ccccc3c2)CC1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21.

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

The InChIKey is SGXAQVGTNUTHBY-IDCGIGBZSA-N. The full InChI is InChI=1S/C32H38N2O4S/c35-30(32(15-16-32)39(37,38)27-13-12-24-7-2-3-8-25(24)20-27)21-31(36)33-29-10-6-9-26-19-23(11-14-28(26)29)22-34-17-4-1-5-18-34/h2-3,7-8,11-14,19-20,29-30,35H,1,4-6,9-10,15-18,21-22H2,(H,33,36)/t29-,30?/m1/s1.

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

3-hydroxy-3-(1-naphthalen-2-ylsulfonylcyclopropyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 546.73 g/mol, XLogP of 5.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-3-(1-naphthalen-2-ylsulfonylcyclopropyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 58646001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).