N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-5-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)pentanamide

C21H28N4O5S2 — CID 3829046

IUPACN-(5-methyl-1,2-oxazol-3-yl)-5-oxo-5-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)pentanamide
SMILESCc1cc(NC(=O)CCCC(=O)N2CCC3(CCN(S(=O)(=O)c4cccs4)CC3)C2)no1
InChIInChI=1S/C21H28N4O5S2/c1-16-14-17(23-30-16)22-18(26)4-2-5-19(27)24-10-7-21(15-24)8-11-25(12-9-21)32(28,29)20-6-3-13-31-20/h3,6,13-14H,2,4-5,7-12,15H2,1H3,(H,22,23,26)
InChIKeyVBOMFYVPKIACHZ-UHFFFAOYSA-N
MW480.61 g/mol
LogP2.86
Rot. Bonds7

About N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-5-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)pentanamide

N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-5-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)pentanamide (PubChem CID 3829046) has the molecular formula C21H28N4O5S2 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-5-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)pentanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-5-oxo-5-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)pentanamide
PubChem CID3829046
Molecular FormulaC21H28N4O5S2
Molecular Weight480.61 g/mol
Exact Mass480.15
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-5-oxo-5-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)pentanamide
SMILESCc1cc(NC(=O)CCCC(=O)N2CCC3(CCN(S(=O)(=O)c4cccs4)CC3)C2)no1
InChIInChI=1S/C21H28N4O5S2/c1-16-14-17(23-30-16)22-18(26)4-2-5-19(27)24-10-7-21(15-24)8-11-25(12-9-21)32(28,29)20-6-3-13-31-20/h3,6,13-14H,2,4-5,7-12,15H2,1H3,(H,22,23,26)
InChIKeyVBOMFYVPKIACHZ-UHFFFAOYSA-N
XLogP2.86
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-5-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)pentanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-5-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)pentanamide (CID 3829046) is N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-5-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)pentanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-5-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)pentanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-5-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)pentanamide is Cc1cc(NC(=O)CCCC(=O)N2CCC3(CCN(S(=O)(=O)c4cccs4)CC3)C2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-5-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)pentanamide?
The InChIKey is VBOMFYVPKIACHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5S2/c1-16-14-17(23-30-16)22-18(26)4-2-5-19(27)24-10-7-21(15-24)8-11-25(12-9-21)32(28,29)20-6-3-13-31-20/h3,6,13-14H,2,4-5,7-12,15H2,1H3,(H,22,23,26).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-5-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)pentanamide?
N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-5-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)pentanamide has a molecular weight of 480.61 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-5-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)pentanamide is sourced from PubChem (CID 3829046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).