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

C20H20Cl2N2O2S — CID 53358621

IUPAC(2,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone
SMILESCc1c(C(=O)c2ccc(Cl)cc2Cl)c2ccsc2n1CCN1CCOCC1
InChIInChI=1S/C20H20Cl2N2O2S/c1-13-18(19(25)15-3-2-14(21)12-17(15)22)16-4-11-27-20(16)24(13)6-5-23-7-9-26-10-8-23/h2-4,11-12H,5-10H2,1H3
InChIKeyRXMSTTDDVGGTSS-UHFFFAOYSA-N
MW423.37 g/mol
LogP4.88
Rot. Bonds5

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

(2,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone (PubChem CID 53358621) has the molecular formula C20H20Cl2N2O2S and a molecular weight of 423.37 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone
PubChem CID53358621
Molecular FormulaC20H20Cl2N2O2S
Molecular Weight423.37 g/mol
Exact Mass422.06
IUPAC Name(2,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone
SMILESCc1c(C(=O)c2ccc(Cl)cc2Cl)c2ccsc2n1CCN1CCOCC1
InChIInChI=1S/C20H20Cl2N2O2S/c1-13-18(19(25)15-3-2-14(21)12-17(15)22)16-4-11-27-20(16)24(13)6-5-23-7-9-26-10-8-23/h2-4,11-12H,5-10H2,1H3
InChIKeyRXMSTTDDVGGTSS-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone
CID 53341132
(3-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone
CID 53358617
[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone
CID 53358257
2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 991469
2,4-dichloro-N-(2-morpholin-4-ylethyl)-N-phenylbenzamide
CID 99181718
[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-2-yl)methanone
CID 56837830
(4-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone;(2,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone;(3,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone;(2,3-difluorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone;[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-phenylmethanone
CID 159629851
2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108746677
2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 60520270
(2,4-dichlorophenyl)-(4-hydroxy-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone
CID 10361076
4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine
CID 66764740
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 108984345

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone (CID 53358621) is (2,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone is Cc1c(C(=O)c2ccc(Cl)cc2Cl)c2ccsc2n1CCN1CCOCC1.
What is the InChIKey of (2,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone?
The InChIKey is RXMSTTDDVGGTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2S/c1-13-18(19(25)15-3-2-14(21)12-17(15)22)16-4-11-27-20(16)24(13)6-5-23-7-9-26-10-8-23/h2-4,11-12H,5-10H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone?
(2,4-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 (2,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone is sourced from PubChem (CID 53358621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).