N-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]thiophene-2-carboxamide

C26H28N4O3S — CID 5005684

About N-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]thiophene-2-carboxamide

N-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]thiophene-2-carboxamide (PubChem CID 5005684) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]thiophene-2-carboxamide
• PubChem CID: 5005684
• Molecular Formula: C26H28N4O3S
• Molecular Weight: 476.60 g/mol
• Exact Mass: 476.19
• IUPAC Name: N-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]thiophene-2-carboxamide
• SMILES: O=C(NCC(=O)N1CCC2(CCN(C(=O)c3ccccc3-n3cccc3)CC2)C1)c1cccs1
• InChI: InChI=1S/C26H28N4O3S/c31-23(18-27-24(32)22-8-5-17-34-22)30-16-11-26(19-30)9-14-29(15-10-26)25(33)20-6-1-2-7-21(20)28-12-3-4-13-28/h1-8,12-13,17H,9-11,14-16,18-19H2,(H,27,32)
• InChIKey: BUGBYVDHRVTFRB-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 74.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.60
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]thiophene-2-carboxamide?

The IUPAC name of N-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]thiophene-2-carboxamide (CID 5005684) is N-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]thiophene-2-carboxamide?

The canonical SMILES for N-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]thiophene-2-carboxamide is O=C(NCC(=O)N1CCC2(CCN(C(=O)c3ccccc3-n3cccc3)CC2)C1)c1cccs1.

What is the InChIKey of N-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]thiophene-2-carboxamide?

The InChIKey is BUGBYVDHRVTFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c31-23(18-27-24(32)22-8-5-17-34-22)30-16-11-26(19-30)9-14-29(15-10-26)25(33)20-6-1-2-7-21(20)28-12-3-4-13-28/h1-8,12-13,17H,9-11,14-16,18-19H2,(H,27,32).

What are the key properties of N-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]thiophene-2-carboxamide?

N-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 5005684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).