[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

C24H21NO4S — CID 7715785

IUPAC[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESO=C(O[C@H](C(=O)N1CCCC1)c1ccccc1)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C24H21NO4S/c26-23(25-12-6-7-13-25)21(16-8-2-1-3-9-16)29-24(27)20-14-17-15-28-19-11-5-4-10-18(19)22(17)30-20/h1-5,8-11,14,21H,6-7,12-13,15H2/t21-/m0/s1
InChIKeyXQDXCJJBBPKKPR-NRFANRHFSA-N
MW419.50 g/mol
LogP4.83
Rot. Bonds4

About [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4H-thieno[3,2-c]chromene-2-carboxylate (PubChem CID 7715785) has the molecular formula C24H21NO4S and a molecular weight of 419.50 g/mol. Its IUPAC name is [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4H-thieno[3,2-c]chromene-2-carboxylate.

Molecular Properties

Compound Name[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
PubChem CID7715785
Molecular FormulaC24H21NO4S
Molecular Weight419.50 g/mol
Exact Mass419.12
IUPAC Name[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESO=C(O[C@H](C(=O)N1CCCC1)c1ccccc1)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C24H21NO4S/c26-23(25-12-6-7-13-25)21(16-8-2-1-3-9-16)29-24(27)20-14-17-15-28-19-11-5-4-10-18(19)22(17)30-20/h1-5,8-11,14,21H,6-7,12-13,15H2/t21-/m0/s1
InChIKeyXQDXCJJBBPKKPR-NRFANRHFSA-N
XLogP4.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-yl 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253140
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253138
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 18104061
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 27265870
[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 8943685
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253191
[(1R)-2-oxocyclopentyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7621467
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 41228103
3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119259559
(4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 20877862
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7621400

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The IUPAC name of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4H-thieno[3,2-c]chromene-2-carboxylate (CID 7715785) is [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4H-thieno[3,2-c]chromene-2-carboxylate.
What is the SMILES notation for [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The canonical SMILES for [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4H-thieno[3,2-c]chromene-2-carboxylate is O=C(O[C@H](C(=O)N1CCCC1)c1ccccc1)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The InChIKey is XQDXCJJBBPKKPR-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21NO4S/c26-23(25-12-6-7-13-25)21(16-8-2-1-3-9-16)29-24(27)20-14-17-15-28-19-11-5-4-10-18(19)22(17)30-20/h1-5,8-11,14,21H,6-7,12-13,15H2/t21-/m0/s1.
What are the key properties of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4H-thieno[3,2-c]chromene-2-carboxylate has a molecular weight of 419.50 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4H-thieno[3,2-c]chromene-2-carboxylate is sourced from PubChem (CID 7715785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).