4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

C25H24N2O3S — CID 46112907

IUPAC4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCOc1ccc(N2C(=O)CSC23CCN(C(=O)c2ccc4ccccc4c2)CC3)cc1
InChIInChI=1S/C25H24N2O3S/c1-30-22-10-8-21(9-11-22)27-23(28)17-31-25(27)12-14-26(15-13-25)24(29)20-7-6-18-4-2-3-5-19(18)16-20/h2-11,16H,12-15,17H2,1H3
InChIKeyABVBDDQAXRJLPY-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.56
Rot. Bonds3

About 4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 46112907) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID46112907
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCOc1ccc(N2C(=O)CSC23CCN(C(=O)c2ccc4ccccc4c2)CC3)cc1
InChIInChI=1S/C25H24N2O3S/c1-30-22-10-8-21(9-11-22)27-23(28)17-31-25(27)12-14-26(15-13-25)24(29)20-7-6-18-4-2-3-5-19(18)16-20/h2-11,16H,12-15,17H2,1H3
InChIKeyABVBDDQAXRJLPY-UHFFFAOYSA-N
XLogP4.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 46112907) is 4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is COc1ccc(N2C(=O)CSC23CCN(C(=O)c2ccc4ccccc4c2)CC3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ABVBDDQAXRJLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-30-22-10-8-21(9-11-22)27-23(28)17-31-25(27)12-14-26(15-13-25)24(29)20-7-6-18-4-2-3-5-19(18)16-20/h2-11,16H,12-15,17H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 432.55 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 46112907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).