N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

C23H30N2O2S — CID 97376426

About N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (PubChem CID 97376426) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.

Molecular Properties

• Compound Name: N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
• PubChem CID: 97376426
• Molecular Formula: C23H30N2O2S
• Molecular Weight: 398.57 g/mol
• Exact Mass: 398.20
• IUPAC Name: N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
• SMILES: CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21
• InChI: InChI=1S/C23H30N2O2S/c1-17(2)24-22(26)14-18-15-23(27-21-8-4-3-7-20(18)21)9-11-25(12-10-23)16-19-6-5-13-28-19/h3-8,13,17-18H,9-12,14-16H2,1-2H3,(H,24,26)/t18-/m1/s1
• InChIKey: NCYUHKXZIUUONS-GOSISDBHSA-N
• XLogP: 4.56
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.57
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?

The IUPAC name of N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (CID 97376426) is N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.

What is the SMILES notation for N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?

The canonical SMILES for N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21.

What is the InChIKey of N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?

The InChIKey is NCYUHKXZIUUONS-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-17(2)24-22(26)14-18-15-23(27-21-8-4-3-7-20(18)21)9-11-25(12-10-23)16-19-6-5-13-28-19/h3-8,13,17-18H,9-12,14-16H2,1-2H3,(H,24,26)/t18-/m1/s1.

What are the key properties of N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?

N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide has a molecular weight of 398.57 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is sourced from PubChem (CID 97376426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).