N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide

C18H20N2O3S — CID 7255328

IUPACN-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
SMILESCCOc1ccc(N2C[C@H](NC(=O)Cc3cccs3)CC2=O)cc1
InChIInChI=1S/C18H20N2O3S/c1-2-23-15-7-5-14(6-8-15)20-12-13(10-18(20)22)19-17(21)11-16-4-3-9-24-16/h3-9,13H,2,10-12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeySKUDEVOBCLWVBV-CYBMUJFWSA-N
MW344.44 g/mol
LogP2.61
Rot. Bonds6

About N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide

N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 7255328) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
PubChem CID7255328
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
SMILESCCOc1ccc(N2C[C@H](NC(=O)Cc3cccs3)CC2=O)cc1
InChIInChI=1S/C18H20N2O3S/c1-2-23-15-7-5-14(6-8-15)20-12-13(10-18(20)22)19-17(21)11-16-4-3-9-24-16/h3-9,13H,2,10-12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeySKUDEVOBCLWVBV-CYBMUJFWSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide (CID 7255328) is N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide is CCOc1ccc(N2C[C@H](NC(=O)Cc3cccs3)CC2=O)cc1.
What is the InChIKey of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is SKUDEVOBCLWVBV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-23-15-7-5-14(6-8-15)20-12-13(10-18(20)22)19-17(21)11-16-4-3-9-24-16/h3-9,13H,2,10-12H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide?
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 344.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 7255328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).