N-[1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide

C26H33N3O4S — CID 3867468

IUPACN-[1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide
SMILESCCOc1ccc(C(=O)N2CCC3(CC2)CCN(C(=O)C(Cc2cccs2)NC(C)=O)C3)cc1
InChIInChI=1S/C26H33N3O4S/c1-3-33-21-8-6-20(7-9-21)24(31)28-13-10-26(11-14-28)12-15-29(18-26)25(32)23(27-19(2)30)17-22-5-4-16-34-22/h4-9,16,23H,3,10-15,17-18H2,1-2H3,(H,27,30)
InChIKeyUBLUPVZOCPWLFD-UHFFFAOYSA-N
MW483.63 g/mol
LogP3.35
Rot. Bonds7

About N-[1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide

N-[1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide (PubChem CID 3867468) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-[1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide
PubChem CID3867468
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-[1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide
SMILESCCOc1ccc(C(=O)N2CCC3(CC2)CCN(C(=O)C(Cc2cccs2)NC(C)=O)C3)cc1
InChIInChI=1S/C26H33N3O4S/c1-3-33-21-8-6-20(7-9-21)24(31)28-13-10-26(11-14-28)12-15-29(18-26)25(32)23(27-19(2)30)17-22-5-4-16-34-22/h4-9,16,23H,3,10-15,17-18H2,1-2H3,(H,27,30)
InChIKeyUBLUPVZOCPWLFD-UHFFFAOYSA-N
XLogP3.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-oxo-1-[8-(3-phenylprop-2-ynoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-thiophen-2-ylpropan-2-yl]acetamide
CID 74224878
(4-ethoxyphenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone
CID 18577926
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 5174173
8-(4-ethoxybenzoyl)-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91923759
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone
CID 3262527
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one
CID 3808183
8-(4-ethoxybenzoyl)-N-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 3672245
3-[2-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-3H-2-benzofuran-1-one
CID 3504433
N-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 3861917
[2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone
CID 4296379
N-[2-[4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)phenoxy]ethyl]acetamide
CID 56876543

Frequently Asked Questions

What is the IUPAC name of N-[1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide?
The IUPAC name of N-[1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide (CID 3867468) is N-[1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide.
What is the SMILES notation for N-[1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide?
The canonical SMILES for N-[1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide is CCOc1ccc(C(=O)N2CCC3(CC2)CCN(C(=O)C(Cc2cccs2)NC(C)=O)C3)cc1.
What is the InChIKey of N-[1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide?
The InChIKey is UBLUPVZOCPWLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-3-33-21-8-6-20(7-9-21)24(31)28-13-10-26(11-14-28)12-15-29(18-26)25(32)23(27-19(2)30)17-22-5-4-16-34-22/h4-9,16,23H,3,10-15,17-18H2,1-2H3,(H,27,30).
What are the key properties of N-[1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide?
N-[1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide has a molecular weight of 483.63 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide is sourced from PubChem (CID 3867468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).