2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide

C18H18N2O3S — CID 9051678

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
SMILESCC(C)[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1cccs1
InChIInChI=1S/C18H18N2O3S/c1-11(2)16(14-8-5-9-24-14)19-15(21)10-20-17(22)12-6-3-4-7-13(12)18(20)23/h3-9,11,16H,10H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyWHWMFENVKPNDEF-INIZCTEOSA-N
MW342.42 g/mol
LogP2.86
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide (PubChem CID 9051678) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
PubChem CID9051678
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
SMILESCC(C)[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1cccs1
InChIInChI=1S/C18H18N2O3S/c1-11(2)16(14-8-5-9-24-14)19-15(21)10-20-17(22)12-6-3-4-7-13(12)18(20)23/h3-9,11,16H,10H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyWHWMFENVKPNDEF-INIZCTEOSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 31735919
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 106672150
2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 36799965
3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 51534434
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 17437467
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 112503947
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 55495065
N-(2-methyl-1-thiophen-2-ylpropyl)-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 24572333
2-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9017578
2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 62656121
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 24566759

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide (CID 9051678) is 2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide is CC(C)[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1cccs1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
The InChIKey is WHWMFENVKPNDEF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11(2)16(14-8-5-9-24-14)19-15(21)10-20-17(22)12-6-3-4-7-13(12)18(20)23/h3-9,11,16H,10H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 9051678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).