N-(2-methoxyphenyl)-2-(5-oxo-5-thiophen-2-ylpentanoyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

C25H31N3O4S — CID 5015571

IUPACN-(2-methoxyphenyl)-2-(5-oxo-5-thiophen-2-ylpentanoyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC2(CCN(C(=O)CCCC(=O)c3cccs3)C2)CC1
InChIInChI=1S/C25H31N3O4S/c1-32-21-8-3-2-6-19(21)26-24(31)27-14-11-25(12-15-27)13-16-28(18-25)23(30)10-4-7-20(29)22-9-5-17-33-22/h2-3,5-6,8-9,17H,4,7,10-16,18H2,1H3,(H,26,31)
InChIKeyUBCCFIXNZMUTGR-UHFFFAOYSA-N
MW469.61 g/mol
LogP4.66
Rot. Bonds7

About N-(2-methoxyphenyl)-2-(5-oxo-5-thiophen-2-ylpentanoyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

N-(2-methoxyphenyl)-2-(5-oxo-5-thiophen-2-ylpentanoyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 5015571) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(5-oxo-5-thiophen-2-ylpentanoyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(5-oxo-5-thiophen-2-ylpentanoyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID5015571
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC NameN-(2-methoxyphenyl)-2-(5-oxo-5-thiophen-2-ylpentanoyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC2(CCN(C(=O)CCCC(=O)c3cccs3)C2)CC1
InChIInChI=1S/C25H31N3O4S/c1-32-21-8-3-2-6-19(21)26-24(31)27-14-11-25(12-15-27)13-16-28(18-25)23(30)10-4-7-20(29)22-9-5-17-33-22/h2-3,5-6,8-9,17H,4,7,10-16,18H2,1H3,(H,26,31)
InChIKeyUBCCFIXNZMUTGR-UHFFFAOYSA-N
XLogP4.66
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-5-thiophen-2-ylpentane-1,5-dione
CID 3729625
but-2-ynyl 8-[(2-methoxyphenyl)carbamoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 3863013
S-[(2S)-3-[8-[(2-methoxyphenyl)carbamoyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-methyl-3-oxopropyl] ethanethioate
CID 74227793
N-(2-methoxyphenyl)-2-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 74224172
1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123407
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 110346788
N-(2-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 5019002
methyl 4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxylate
CID 110346802
2-[3-(carbamothioylamino)benzoyl]-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 74229495
N-(2-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185460
N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide
CID 82121621
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione
CID 110310567

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(5-oxo-5-thiophen-2-ylpentanoyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(5-oxo-5-thiophen-2-ylpentanoyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 5015571) is N-(2-methoxyphenyl)-2-(5-oxo-5-thiophen-2-ylpentanoyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(5-oxo-5-thiophen-2-ylpentanoyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(5-oxo-5-thiophen-2-ylpentanoyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is COc1ccccc1NC(=O)N1CCC2(CCN(C(=O)CCCC(=O)c3cccs3)C2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(5-oxo-5-thiophen-2-ylpentanoyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is UBCCFIXNZMUTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-32-21-8-3-2-6-19(21)26-24(31)27-14-11-25(12-15-27)13-16-28(18-25)23(30)10-4-7-20(29)22-9-5-17-33-22/h2-3,5-6,8-9,17H,4,7,10-16,18H2,1H3,(H,26,31).
What are the key properties of N-(2-methoxyphenyl)-2-(5-oxo-5-thiophen-2-ylpentanoyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
N-(2-methoxyphenyl)-2-(5-oxo-5-thiophen-2-ylpentanoyl)-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 469.61 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(5-oxo-5-thiophen-2-ylpentanoyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 5015571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).