(2,3-dichlorophenyl)-[6-(2-methoxyethyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone

C17H15Cl2NO2S — CID 50899585

IUPAC(2,3-dichlorophenyl)-[6-(2-methoxyethyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone
SMILESCOCCn1c(C)cc2cc(C(=O)c3cccc(Cl)c3Cl)sc21
InChIInChI=1S/C17H15Cl2NO2S/c1-10-8-11-9-14(23-17(11)20(10)6-7-22-2)16(21)12-4-3-5-13(18)15(12)19/h3-5,8-9H,6-7H2,1-2H3
InChIKeyBSHMVNVIJCHQOZ-UHFFFAOYSA-N
MW368.29 g/mol
LogP5.20
Rot. Bonds5

About (2,3-dichlorophenyl)-[6-(2-methoxyethyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone

(2,3-dichlorophenyl)-[6-(2-methoxyethyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone (PubChem CID 50899585) has the molecular formula C17H15Cl2NO2S and a molecular weight of 368.29 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[6-(2-methoxyethyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[6-(2-methoxyethyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone
PubChem CID50899585
Molecular FormulaC17H15Cl2NO2S
Molecular Weight368.29 g/mol
Exact Mass367.02
IUPAC Name(2,3-dichlorophenyl)-[6-(2-methoxyethyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone
SMILESCOCCn1c(C)cc2cc(C(=O)c3cccc(Cl)c3Cl)sc21
InChIInChI=1S/C17H15Cl2NO2S/c1-10-8-11-9-14(23-17(11)20(10)6-7-22-2)16(21)12-4-3-5-13(18)15(12)19/h3-5,8-9H,6-7H2,1-2H3
InChIKeyBSHMVNVIJCHQOZ-UHFFFAOYSA-N
XLogP5.20
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.29
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[6-(2-methoxyethyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[6-(2-methoxyethyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone (CID 50899585) is (2,3-dichlorophenyl)-[6-(2-methoxyethyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[6-(2-methoxyethyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[6-(2-methoxyethyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone is COCCn1c(C)cc2cc(C(=O)c3cccc(Cl)c3Cl)sc21.
What is the InChIKey of (2,3-dichlorophenyl)-[6-(2-methoxyethyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone?
The InChIKey is BSHMVNVIJCHQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2S/c1-10-8-11-9-14(23-17(11)20(10)6-7-22-2)16(21)12-4-3-5-13(18)15(12)19/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of (2,3-dichlorophenyl)-[6-(2-methoxyethyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone?
(2,3-dichlorophenyl)-[6-(2-methoxyethyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone has a molecular weight of 368.29 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[6-(2-methoxyethyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone is sourced from PubChem (CID 50899585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).