N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide

C20H23NO3S — CID 78902741

IUPACN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
SMILESCC(C)(C)C(NC(=O)COc1cccc2c1CCC2=O)c1cccs1
InChIInChI=1S/C20H23NO3S/c1-20(2,3)19(17-8-5-11-25-17)21-18(23)12-24-16-7-4-6-13-14(16)9-10-15(13)22/h4-8,11,19H,9-10,12H2,1-3H3,(H,21,23)
InChIKeyREPZEGWJPHJSKE-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.16
Rot. Bonds5

About N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide (PubChem CID 78902741) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
PubChem CID78902741
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
SMILESCC(C)(C)C(NC(=O)COc1cccc2c1CCC2=O)c1cccs1
InChIInChI=1S/C20H23NO3S/c1-20(2,3)19(17-8-5-11-25-17)21-18(23)12-24-16-7-4-6-13-14(16)9-10-15(13)22/h4-8,11,19H,9-10,12H2,1-3H3,(H,21,23)
InChIKeyREPZEGWJPHJSKE-UHFFFAOYSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 134010739
N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402308
[2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 94352559
N-cyclohexyl-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402250
N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 94490347
N-(1-methoxypropan-2-yl)-2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide
CID 65454442
N-(2,6-dibromo-4-methylphenyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402265
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78887945
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55777976
4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one
CID 60705449
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 55661677
2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]-N-(4-phenoxyphenyl)acetamide
CID 41402254

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide?
The IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide (CID 78902741) is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide.
What is the SMILES notation for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide?
The canonical SMILES for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide is CC(C)(C)C(NC(=O)COc1cccc2c1CCC2=O)c1cccs1.
What is the InChIKey of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide?
The InChIKey is REPZEGWJPHJSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-20(2,3)19(17-8-5-11-25-17)21-18(23)12-24-16-7-4-6-13-14(16)9-10-15(13)22/h4-8,11,19H,9-10,12H2,1-3H3,(H,21,23).
What are the key properties of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide?
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide has a molecular weight of 357.48 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide is sourced from PubChem (CID 78902741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).