4-naphthalen-2-ylsulfonyl-3-phenyl-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]butanamide

C35H38N2O3S — CID 73032171

About 4-naphthalen-2-ylsulfonyl-3-phenyl-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]butanamide

4-naphthalen-2-ylsulfonyl-3-phenyl-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]butanamide (PubChem CID 73032171) has the molecular formula C35H38N2O3S and a molecular weight of 566.77 g/mol. Its IUPAC name is 4-naphthalen-2-ylsulfonyl-3-phenyl-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]butanamide.

Molecular Properties

• Compound Name: 4-naphthalen-2-ylsulfonyl-3-phenyl-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]butanamide
• PubChem CID: 73032171
• Molecular Formula: C35H38N2O3S
• Molecular Weight: 566.77 g/mol
• Exact Mass: 566.26
• IUPAC Name: 4-naphthalen-2-ylsulfonyl-3-phenyl-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]butanamide
• SMILES: O=C(CC(CS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NC1CCc2cc(CN3CCCCC3)ccc21
• InChI: InChI=1S/C35H38N2O3S/c38-35(36-34-18-15-30-21-26(13-17-33(30)34)24-37-19-7-2-8-20-37)23-31(27-9-3-1-4-10-27)25-41(39,40)32-16-14-28-11-5-6-12-29(28)22-32/h1,3-6,9-14,16-17,21-22,31,34H,2,7-8,15,18-20,23-25H2,(H,36,38)
• InChIKey: VWNPLZJUWOVAJA-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.77
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-ylsulfonyl-3-phenyl-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]butanamide?

The IUPAC name of 4-naphthalen-2-ylsulfonyl-3-phenyl-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]butanamide (CID 73032171) is 4-naphthalen-2-ylsulfonyl-3-phenyl-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]butanamide.

What is the SMILES notation for 4-naphthalen-2-ylsulfonyl-3-phenyl-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]butanamide?

The canonical SMILES for 4-naphthalen-2-ylsulfonyl-3-phenyl-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]butanamide is O=C(CC(CS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)NC1CCc2cc(CN3CCCCC3)ccc21.

What is the InChIKey of 4-naphthalen-2-ylsulfonyl-3-phenyl-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]butanamide?

The InChIKey is VWNPLZJUWOVAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N2O3S/c38-35(36-34-18-15-30-21-26(13-17-33(30)34)24-37-19-7-2-8-20-37)23-31(27-9-3-1-4-10-27)25-41(39,40)32-16-14-28-11-5-6-12-29(28)22-32/h1,3-6,9-14,16-17,21-22,31,34H,2,7-8,15,18-20,23-25H2,(H,36,38).

What are the key properties of 4-naphthalen-2-ylsulfonyl-3-phenyl-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]butanamide?

4-naphthalen-2-ylsulfonyl-3-phenyl-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]butanamide has a molecular weight of 566.77 g/mol, XLogP of 6.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-naphthalen-2-ylsulfonyl-3-phenyl-N-[5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-yl]butanamide is sourced from PubChem (CID 73032171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).