N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

C17H24N2O2S — CID 18090465

IUPACN-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCCc1ccc(C(NC(=O)CN2CCSC2=O)C(C)C)cc1
InChIInChI=1S/C17H24N2O2S/c1-4-13-5-7-14(8-6-13)16(12(2)3)18-15(20)11-19-9-10-22-17(19)21/h5-8,12,16H,4,9-11H2,1-3H3,(H,18,20)
InChIKeyXCUIAPXNJGWOQL-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.23
Rot. Bonds6

About N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 18090465) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID18090465
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCCc1ccc(C(NC(=O)CN2CCSC2=O)C(C)C)cc1
InChIInChI=1S/C17H24N2O2S/c1-4-13-5-7-14(8-6-13)16(12(2)3)18-15(20)11-19-9-10-22-17(19)21/h5-8,12,16H,4,9-11H2,1-3H3,(H,18,20)
InChIKeyXCUIAPXNJGWOQL-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18140277
2-(2-oxo-1,3-thiazolidin-3-yl)-N-propan-2-ylacetamide
CID 35807274
3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide
CID 64678600
2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 60684128
2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 31353018
N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 120504928
2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 9276356
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 51983168
N-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18166415
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 9073243
(2S)-4-methyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid
CID 119361545
methyl 4-[[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]benzoate
CID 18106696

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide (CID 18090465) is N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is CCc1ccc(C(NC(=O)CN2CCSC2=O)C(C)C)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is XCUIAPXNJGWOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-4-13-5-7-14(8-6-13)16(12(2)3)18-15(20)11-19-9-10-22-17(19)21/h5-8,12,16H,4,9-11H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 320.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 18090465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).