1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone

C21H24N2O4S — CID 5222255

IUPAC1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCC2(CC1)SCCN2C(=O)c1ccco1
InChIInChI=1S/C21H24N2O4S/c24-19(16-26-15-17-5-2-1-3-6-17)22-10-8-21(9-11-22)23(12-14-28-21)20(25)18-7-4-13-27-18/h1-7,13H,8-12,14-16H2
InChIKeyPMOGWWLWPBOKPO-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.00
Rot. Bonds5

About 1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone

1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone (PubChem CID 5222255) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone
PubChem CID5222255
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCC2(CC1)SCCN2C(=O)c1ccco1
InChIInChI=1S/C21H24N2O4S/c24-19(16-26-15-17-5-2-1-3-6-17)22-10-8-21(9-11-22)23(12-14-28-21)20(25)18-7-4-13-27-18/h1-7,13H,8-12,14-16H2
InChIKeyPMOGWWLWPBOKPO-UHFFFAOYSA-N
XLogP3.00
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone
CID 3671261
1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-3,5,5-trimethylhexan-1-one
CID 4021612
[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 5126806
1-[8-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-methylbutan-1-one
CID 811451
N-(4-ethylphenyl)-4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 4000989
2-ethyl-1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]hexan-1-one
CID 4320559
1-[4-(4-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 3315052
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
1-[4-(3,5-dimethoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 4619002
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 2360096
1-(2-phenylmethoxyacetyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56890003

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone (CID 5222255) is 1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1CCC2(CC1)SCCN2C(=O)c1ccco1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone?
The InChIKey is PMOGWWLWPBOKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c24-19(16-26-15-17-5-2-1-3-6-17)22-10-8-21(9-11-22)23(12-14-28-21)20(25)18-7-4-13-27-18/h1-7,13H,8-12,14-16H2.
What are the key properties of 1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone?
1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone has a molecular weight of 400.50 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 5222255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).