(4-ethoxyphenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone

C20H24N2O5S2 — CID 18577926

IUPAC(4-ethoxyphenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H24N2O5S2/c1-2-26-17-7-5-16(6-8-17)19(23)21-11-9-20(10-12-21)22(13-14-27-20)29(24,25)18-4-3-15-28-18/h3-8,15H,2,9-14H2,1H3
InChIKeyAXASDUSHMIPSRZ-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.80
Rot. Bonds5

About (4-ethoxyphenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone

(4-ethoxyphenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone (PubChem CID 18577926) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone
PubChem CID18577926
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC Name(4-ethoxyphenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C20H24N2O5S2/c1-2-26-17-7-5-16(6-8-17)19(23)21-11-9-20(10-12-21)22(13-14-27-20)29(24,25)18-4-3-15-28-18/h3-8,15H,2,9-14H2,1H3
InChIKeyAXASDUSHMIPSRZ-UHFFFAOYSA-N
XLogP2.80
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 7384380
(3-chlorophenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone
CID 22584257
8-(4-methoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830285
4-[[2-oxo-2-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)acetyl]amino]benzamide
CID 16823137
(4-butoxyphenyl)-[4-(4-fluoro-3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone
CID 20962551
(2-chloro-4-nitrophenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone
CID 18577928
(3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217500
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
[4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone
CID 20962479
[4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(4-methylphenyl)methanone
CID 20962497
N-[1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide
CID 3867468
[4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(3,4-dimethoxyphenyl)methanone
CID 20962491

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone (CID 18577926) is (4-ethoxyphenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone is CCOc1ccc(C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone?
The InChIKey is AXASDUSHMIPSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c1-2-26-17-7-5-16(6-8-17)19(23)21-11-9-20(10-12-21)22(13-14-27-20)29(24,25)18-4-3-15-28-18/h3-8,15H,2,9-14H2,1H3.
What are the key properties of (4-ethoxyphenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone?
(4-ethoxyphenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone has a molecular weight of 436.56 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 18577926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).