[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

C20H21NO5S — CID 8522614

IUPAC[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESCC(=O)NCc1ccc(C(=O)COC(=O)COc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C20H21NO5S/c1-13(22)21-10-17-7-8-19(27-17)18(23)11-26-20(24)12-25-16-6-5-14-3-2-4-15(14)9-16/h5-9H,2-4,10-12H2,1H3,(H,21,22)
InChIKeyMKECPMYXDIBPJE-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.68
Rot. Bonds8

About [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (PubChem CID 8522614) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.

Molecular Properties

Compound Name[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
PubChem CID8522614
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC Name[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESCC(=O)NCc1ccc(C(=O)COC(=O)COc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C20H21NO5S/c1-13(22)21-10-17-7-8-19(27-17)18(23)11-26-20(24)12-25-16-6-5-14-3-2-4-15(14)9-16/h5-9H,2-4,10-12H2,1H3,(H,21,22)
InChIKeyMKECPMYXDIBPJE-UHFFFAOYSA-N
XLogP2.68
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate 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

[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 8522827
N-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide
CID 8509645
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8521825
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 24526591
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4673954
N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 26655876
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8521613
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 8569042
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4655792
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] thiophene-2-carboxylate
CID 8510072
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728933

Frequently Asked Questions

What is the IUPAC name of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The IUPAC name of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (CID 8522614) is [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.
What is the SMILES notation for [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The canonical SMILES for [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is CC(=O)NCc1ccc(C(=O)COC(=O)COc2ccc3c(c2)CCC3)s1.
What is the InChIKey of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The InChIKey is MKECPMYXDIBPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S/c1-13(22)21-10-17-7-8-19(27-17)18(23)11-26-20(24)12-25-16-6-5-14-3-2-4-15(14)9-16/h5-9H,2-4,10-12H2,1H3,(H,21,22).
What are the key properties of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate has a molecular weight of 387.46 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is sourced from PubChem (CID 8522614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).