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

C20H20Cl2N2O2S — CID 53341132

IUPAC(2,3-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone
SMILESCc1c(C(=O)c2cccc(Cl)c2Cl)c2ccsc2n1CCN1CCOCC1
InChIInChI=1S/C20H20Cl2N2O2S/c1-13-17(19(25)15-3-2-4-16(21)18(15)22)14-5-12-27-20(14)24(13)7-6-23-8-10-26-11-9-23/h2-5,12H,6-11H2,1H3
InChIKeyOTKNCJDFSWXOIS-UHFFFAOYSA-N
MW423.37 g/mol
LogP4.88
Rot. Bonds5

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

(2,3-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone (PubChem CID 53341132) has the molecular formula C20H20Cl2N2O2S and a molecular weight of 423.37 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone
PubChem CID53341132
Molecular FormulaC20H20Cl2N2O2S
Molecular Weight423.37 g/mol
Exact Mass422.06
IUPAC Name(2,3-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone
SMILESCc1c(C(=O)c2cccc(Cl)c2Cl)c2ccsc2n1CCN1CCOCC1
InChIInChI=1S/C20H20Cl2N2O2S/c1-13-17(19(25)15-3-2-4-16(21)18(15)22)14-5-12-27-20(14)24(13)7-6-23-8-10-26-11-9-23/h2-5,12H,6-11H2,1H3
InChIKeyOTKNCJDFSWXOIS-UHFFFAOYSA-N
XLogP4.88
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone
CID 53358257
(2,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone
CID 53358621
(3-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone
CID 53358617
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-2-yl)methanone
CID 56837830
N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960486
(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone;hydrochloride
CID 24849093
4-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-c]quinoline-6-carboxamide
CID 58189588
(2-chlorophenyl)-[5,8-dimethyl-7-(morpholin-4-ylmethyl)-7,8-dihydro-6H-cyclohepta[b]thiophen-4-yl]methanone
CID 123410210
(2,3-dichlorophenyl)-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]methanone
CID 46209990
(2,3-dichlorophenyl)-[3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 57436279

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone (CID 53341132) is (2,3-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone is Cc1c(C(=O)c2cccc(Cl)c2Cl)c2ccsc2n1CCN1CCOCC1.
What is the InChIKey of (2,3-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone?
The InChIKey is OTKNCJDFSWXOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2S/c1-13-17(19(25)15-3-2-4-16(21)18(15)22)14-5-12-27-20(14)24(13)7-6-23-8-10-26-11-9-23/h2-5,12H,6-11H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone?
(2,3-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone has a molecular weight of 423.37 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone is sourced from PubChem (CID 53341132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).