[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate

C20H20N2O5S — CID 8728933

IUPAC[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
SMILESCC(=O)NCc1ccc(C(=O)COC(=O)c2cccc(N3CCCC3=O)c2)s1
InChIInChI=1S/C20H20N2O5S/c1-13(23)21-11-16-7-8-18(28-16)17(24)12-27-20(26)14-4-2-5-15(10-14)22-9-3-6-19(22)25/h2,4-5,7-8,10H,3,6,9,11-12H2,1H3,(H,21,23)
InChIKeyUVAMCNPGOOWAKX-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.55
Rot. Bonds7

About [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate

[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 8728933) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID8728933
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
SMILESCC(=O)NCc1ccc(C(=O)COC(=O)c2cccc(N3CCCC3=O)c2)s1
InChIInChI=1S/C20H20N2O5S/c1-13(23)21-11-16-7-8-18(28-16)17(24)12-27-20(26)14-4-2-5-15(10-14)22-9-3-6-19(22)25/h2,4-5,7-8,10H,3,6,9,11-12H2,1H3,(H,21,23)
InChIKeyUVAMCNPGOOWAKX-UHFFFAOYSA-N
XLogP2.55
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate 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-[(2,2-dimethylpropanoylamino)methyl]thiophen-2-yl]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 43028543
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727594
[2-(3-fluorophenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8678174
[2-(2-methylpropylamino)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727172
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 9382212
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727903
[2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8729151
[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 46609934
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727203
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8726008
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728202
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135

Frequently Asked Questions

What is the IUPAC name of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate (CID 8728933) is [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate is CC(=O)NCc1ccc(C(=O)COC(=O)c2cccc(N3CCCC3=O)c2)s1.
What is the InChIKey of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is UVAMCNPGOOWAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-13(23)21-11-16-7-8-18(28-16)17(24)12-27-20(26)14-4-2-5-15(10-14)22-9-3-6-19(22)25/h2,4-5,7-8,10H,3,6,9,11-12H2,1H3,(H,21,23).
What are the key properties of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 400.46 g/mol, XLogP of 2.55, 7 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] 3-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 8728933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).