methyl 2-chloro-4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate

C14H15ClN2O3S — CID 53298204

IUPACmethyl 2-chloro-4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2sc(Cl)cc2n1CC(=O)N1CCCC1
InChIInChI=1S/C14H15ClN2O3S/c1-20-14(19)10-6-11-9(7-12(15)21-11)17(10)8-13(18)16-4-2-3-5-16/h6-7H,2-5,8H2,1H3
InChIKeyZJHNVTWFAYNIJU-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.77
Rot. Bonds3

About methyl 2-chloro-4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate

methyl 2-chloro-4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 53298204) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is methyl 2-chloro-4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID53298204
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Namemethyl 2-chloro-4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2sc(Cl)cc2n1CC(=O)N1CCCC1
InChIInChI=1S/C14H15ClN2O3S/c1-20-14(19)10-6-11-9(7-12(15)21-11)17(10)8-13(18)16-4-2-3-5-16/h6-7H,2-5,8H2,1H3
InChIKeyZJHNVTWFAYNIJU-UHFFFAOYSA-N
XLogP2.77
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-chloro-4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

methyl 2-chloro-4-[2-(dipropylamino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 20883266
ethyl 4-[2-(azepan-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 1438890
methyl 2-chloro-4-(1-morpholin-4-yl-1-oxobutan-2-yl)thieno[3,2-b]pyrrole-5-carboxylate
CID 20883280
methyl 4-[(2-chlorophenyl)methyl]-2-ethylthieno[3,2-b]pyrrole-5-carboxylate
CID 20883381
ethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]-5-hydroxyindole-2-carboxylate
CID 142737066
methyl 4-[2-(2,4-difluoroanilino)-2-oxoethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 20883323
3-[2-(azepan-1-yl)-2-oxoethyl]-1,3-benzothiazol-2-one
CID 807438
[2-methyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 46039472
3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile
CID 104714634
2-chloro-4-ethyl-N-(2-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877191
3-(2-oxo-2-pyrrolidin-1-ylethyl)-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-one
CID 53007192
2-chloro-4-ethyl-N-(1-methyl-4-oxoimidazolidin-2-ylidene)thieno[3,2-b]pyrrole-5-carboxamide
CID 137037933

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 2-chloro-4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate (CID 53298204) is methyl 2-chloro-4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 2-chloro-4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 2-chloro-4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2sc(Cl)cc2n1CC(=O)N1CCCC1.
What is the InChIKey of methyl 2-chloro-4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is ZJHNVTWFAYNIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-20-14(19)10-6-11-9(7-12(15)21-11)17(10)8-13(18)16-4-2-3-5-16/h6-7H,2-5,8H2,1H3.
What are the key properties of methyl 2-chloro-4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate?
methyl 2-chloro-4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 326.81 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 53298204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).