N-[(1S)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-3-ylpropyl]-2-methylpropanamide

C27H37N3O3S — CID 59998866

About N-[(1S)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-3-ylpropyl]-2-methylpropanamide

N-[(1S)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-3-ylpropyl]-2-methylpropanamide (PubChem CID 59998866) has the molecular formula C27H37N3O3S and a molecular weight of 483.68 g/mol. Its IUPAC name is N-[(1S)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-3-ylpropyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[(1S)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-3-ylpropyl]-2-methylpropanamide
• PubChem CID: 59998866
• Molecular Formula: C27H37N3O3S
• Molecular Weight: 483.68 g/mol
• Exact Mass: 483.26
• IUPAC Name: N-[(1S)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-3-ylpropyl]-2-methylpropanamide
• SMILES: COc1ccc(CN2CCC3(CCN(CC[C@H](NC(=O)C(C)C)c4ccsc4)CC3)C2=O)cc1
• InChI: InChI=1S/C27H37N3O3S/c1-20(2)25(31)28-24(22-9-17-34-19-22)8-13-29-14-10-27(11-15-29)12-16-30(26(27)32)18-21-4-6-23(33-3)7-5-21/h4-7,9,17,19-20,24H,8,10-16,18H2,1-3H3,(H,28,31)/t24-/m0/s1
• InChIKey: RRZWYMLNOYZZFX-DEOSSOPVSA-N
• XLogP: 4.47
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.68
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-3-ylpropyl]-2-methylpropanamide?

The IUPAC name of N-[(1S)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-3-ylpropyl]-2-methylpropanamide (CID 59998866) is N-[(1S)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-3-ylpropyl]-2-methylpropanamide.

What is the SMILES notation for N-[(1S)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-3-ylpropyl]-2-methylpropanamide?

The canonical SMILES for N-[(1S)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-3-ylpropyl]-2-methylpropanamide is COc1ccc(CN2CCC3(CCN(CC[C@H](NC(=O)C(C)C)c4ccsc4)CC3)C2=O)cc1.

What is the InChIKey of N-[(1S)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-3-ylpropyl]-2-methylpropanamide?

The InChIKey is RRZWYMLNOYZZFX-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H37N3O3S/c1-20(2)25(31)28-24(22-9-17-34-19-22)8-13-29-14-10-27(11-15-29)12-16-30(26(27)32)18-21-4-6-23(33-3)7-5-21/h4-7,9,17,19-20,24H,8,10-16,18H2,1-3H3,(H,28,31)/t24-/m0/s1.

What are the key properties of N-[(1S)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-3-ylpropyl]-2-methylpropanamide?

N-[(1S)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-3-ylpropyl]-2-methylpropanamide has a molecular weight of 483.68 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-3-[2-[(4-methoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-3-ylpropyl]-2-methylpropanamide is sourced from PubChem (CID 59998866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).