(2-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone

C20H21ClN2O2S — CID 50899492

IUPAC(2-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
SMILESCc1cc2cc(C(=O)c3ccccc3Cl)sc2n1CCN1CCOCC1
InChIInChI=1S/C20H21ClN2O2S/c1-14-12-15-13-18(19(24)16-4-2-3-5-17(16)21)26-20(15)23(14)7-6-22-8-10-25-11-9-22/h2-5,12-13H,6-11H2,1H3
InChIKeyPNKVWKKQGVVVAL-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.23
Rot. Bonds5

About (2-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone

(2-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone (PubChem CID 50899492) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is (2-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
PubChem CID50899492
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name(2-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
SMILESCc1cc2cc(C(=O)c3ccccc3Cl)sc2n1CCN1CCOCC1
InChIInChI=1S/C20H21ClN2O2S/c1-14-12-15-13-18(19(24)16-4-2-3-5-17(16)21)26-20(15)23(14)7-6-22-8-10-25-11-9-22/h2-5,12-13H,6-11H2,1H3
InChIKeyPNKVWKKQGVVVAL-UHFFFAOYSA-N
XLogP4.23
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone (CID 50899492) is (2-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone is Cc1cc2cc(C(=O)c3ccccc3Cl)sc2n1CCN1CCOCC1.
What is the InChIKey of (2-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
The InChIKey is PNKVWKKQGVVVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-14-12-15-13-18(19(24)16-4-2-3-5-17(16)21)26-20(15)23(14)7-6-22-8-10-25-11-9-22/h2-5,12-13H,6-11H2,1H3.
What are the key properties of (2-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
(2-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone has a molecular weight of 388.92 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone is sourced from PubChem (CID 50899492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).