2-cyclopentyl-1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one

C24H28N2O3S — CID 11647540

IUPAC2-cyclopentyl-1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one
SMILESO=C1C(NCCCCc2ccccc2)=C(c2ccccc2)S(=O)(=O)N1C1CCCC1
InChIInChI=1S/C24H28N2O3S/c27-24-22(25-18-10-9-13-19-11-3-1-4-12-19)23(20-14-5-2-6-15-20)30(28,29)26(24)21-16-7-8-17-21/h1-6,11-12,14-15,21,25H,7-10,13,16-18H2
InChIKeyFFIMPTYIVJRYDK-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.08
Rot. Bonds8

About 2-cyclopentyl-1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one

2-cyclopentyl-1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one (PubChem CID 11647540) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-cyclopentyl-1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-cyclopentyl-1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one
PubChem CID11647540
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name2-cyclopentyl-1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one
SMILESO=C1C(NCCCCc2ccccc2)=C(c2ccccc2)S(=O)(=O)N1C1CCCC1
InChIInChI=1S/C24H28N2O3S/c27-24-22(25-18-10-9-13-19-11-3-1-4-12-19)23(20-14-5-2-6-15-20)30(28,29)26(24)21-16-7-8-17-21/h1-6,11-12,14-15,21,25H,7-10,13,16-18H2
InChIKeyFFIMPTYIVJRYDK-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one?
The IUPAC name of 2-cyclopentyl-1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one (CID 11647540) is 2-cyclopentyl-1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one.
What is the SMILES notation for 2-cyclopentyl-1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one?
The canonical SMILES for 2-cyclopentyl-1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one is O=C1C(NCCCCc2ccccc2)=C(c2ccccc2)S(=O)(=O)N1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one?
The InChIKey is FFIMPTYIVJRYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c27-24-22(25-18-10-9-13-19-11-3-1-4-12-19)23(20-14-5-2-6-15-20)30(28,29)26(24)21-16-7-8-17-21/h1-6,11-12,14-15,21,25H,7-10,13,16-18H2.
What are the key properties of 2-cyclopentyl-1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one?
2-cyclopentyl-1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one has a molecular weight of 424.57 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one is sourced from PubChem (CID 11647540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).