[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

C19H19NO4S — CID 8950999

IUPAC[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESCc1cc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)c(C)s1
InChIInChI=1S/C19H19NO4S/c1-12-10-16(13(2)25-12)17(21)11-24-19(23)14-5-7-15(8-6-14)20-9-3-4-18(20)22/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyZSCFSRYWNBOFPQ-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.53
Rot. Bonds5

About [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 8950999) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID8950999
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESCc1cc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)c(C)s1
InChIInChI=1S/C19H19NO4S/c1-12-10-16(13(2)25-12)17(21)11-24-19(23)14-5-7-15(8-6-14)20-9-3-4-18(20)22/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyZSCFSRYWNBOFPQ-UHFFFAOYSA-N
XLogP3.53
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-hydroxybenzoate
CID 8647274
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3557850
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-methylthiophene-2-carboxylate
CID 8647743
[2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 42985097
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,4-dimethoxybenzoate
CID 8649056
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 7604785
ethyl 4-(2-oxoazepan-1-yl)benzoate
CID 168817150
[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7705452
2,5-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiophene-3-carboxamide
CID 39997103
[2-(methylcarbamoylamino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952856

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (CID 8950999) is [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is Cc1cc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)c(C)s1.
What is the InChIKey of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is ZSCFSRYWNBOFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-12-10-16(13(2)25-12)17(21)11-24-19(23)14-5-7-15(8-6-14)20-9-3-4-18(20)22/h5-8,10H,3-4,9,11H2,1-2H3.
What are the key properties of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 357.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 8950999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).