N-[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C20H27N5O5S2 — CID 3334867

IUPACN-[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)N2CCC3(CCN(C(=O)c4c(C)noc4C)CC3)C2)s1
InChIInChI=1S/C20H27N5O5S2/c1-12-16(14(3)30-23-12)17(27)24-8-5-20(6-9-24)7-10-25(11-20)32(28,29)18-13(2)21-19(31-18)22-15(4)26/h5-11H2,1-4H3,(H,21,22,26)
InChIKeyLBQFUUNLJAYQOD-UHFFFAOYSA-N
MW481.60 g/mol
LogP2.33
Rot. Bonds4

About N-[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 3334867) has the molecular formula C20H27N5O5S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID3334867
Molecular FormulaC20H27N5O5S2
Molecular Weight481.60 g/mol
Exact Mass481.15
IUPAC NameN-[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)N2CCC3(CCN(C(=O)c4c(C)noc4C)CC3)C2)s1
InChIInChI=1S/C20H27N5O5S2/c1-12-16(14(3)30-23-12)17(27)24-8-5-20(6-9-24)7-10-25(11-20)32(28,29)18-13(2)21-19(31-18)22-15(4)26/h5-11H2,1-4H3,(H,21,22,26)
InChIKeyLBQFUUNLJAYQOD-UHFFFAOYSA-N
XLogP2.33
TPSA125.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 3334867) is N-[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCC3(CCN(C(=O)c4c(C)noc4C)CC3)C2)s1.
What is the InChIKey of N-[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is LBQFUUNLJAYQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O5S2/c1-12-16(14(3)30-23-12)17(27)24-8-5-20(6-9-24)7-10-25(11-20)32(28,29)18-13(2)21-19(31-18)22-15(4)26/h5-11H2,1-4H3,(H,21,22,26).
What are the key properties of N-[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 481.60 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]sulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 3334867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).