2-butyl-4-(2-methoxyethylamino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one

C16H22N2O4S — CID 11617014

IUPAC2-butyl-4-(2-methoxyethylamino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESCCCCN1C(=O)C(NCCOC)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C16H22N2O4S/c1-3-4-11-18-16(19)14(17-10-12-22-2)15(23(18,20)21)13-8-6-5-7-9-13/h5-9,17H,3-4,10-12H2,1-2H3
InChIKeyFSZNZIVSWQRHPH-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.56
Rot. Bonds8

About 2-butyl-4-(2-methoxyethylamino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one

2-butyl-4-(2-methoxyethylamino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (PubChem CID 11617014) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-butyl-4-(2-methoxyethylamino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-butyl-4-(2-methoxyethylamino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
PubChem CID11617014
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name2-butyl-4-(2-methoxyethylamino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESCCCCN1C(=O)C(NCCOC)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C16H22N2O4S/c1-3-4-11-18-16(19)14(17-10-12-22-2)15(23(18,20)21)13-8-6-5-7-9-13/h5-9,17H,3-4,10-12H2,1-2H3
InChIKeyFSZNZIVSWQRHPH-UHFFFAOYSA-N
XLogP1.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N~2~-[(4-methylphenyl)sulfonyl]alaninamide
CID 3441312
4-[(4,4-Difluorocyclohexyl)amino]-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide
CID 11682450
2-(1-Fluorobutyl)-1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one
CID 69345994
2-[(4-fluorophenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 22301469
2-[(4-fluorophenyl)methylsulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 32680223
N-[2-(2-fluorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide
CID 113149266
N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide
CID 113149267
2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113151908
2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113152015
2-[3-[(3-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]-N-propylacetamide
CID 141953206
N-(2-methoxyethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2175701
N~2~-ethyl-N-(2-methoxyethyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 2224797

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(2-methoxyethylamino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The IUPAC name of 2-butyl-4-(2-methoxyethylamino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (CID 11617014) is 2-butyl-4-(2-methoxyethylamino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 2-butyl-4-(2-methoxyethylamino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 2-butyl-4-(2-methoxyethylamino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is CCCCN1C(=O)C(NCCOC)=C(c2ccccc2)S1(=O)=O.
What is the InChIKey of 2-butyl-4-(2-methoxyethylamino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The InChIKey is FSZNZIVSWQRHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-3-4-11-18-16(19)14(17-10-12-22-2)15(23(18,20)21)13-8-6-5-7-9-13/h5-9,17H,3-4,10-12H2,1-2H3.
What are the key properties of 2-butyl-4-(2-methoxyethylamino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
2-butyl-4-(2-methoxyethylamino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one has a molecular weight of 338.43 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(2-methoxyethylamino)-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 11617014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).