(1-ethyl-2-methylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone

C21H22N2OS — CID 53357390

IUPAC(1-ethyl-2-methylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone
SMILESCCCn1c(C(=O)c2c(C)n(CC)c3ccccc23)cc2ccsc21
InChIInChI=1S/C21H22N2OS/c1-4-11-23-18(13-15-10-12-25-21(15)23)20(24)19-14(3)22(5-2)17-9-7-6-8-16(17)19/h6-10,12-13H,4-5,11H2,1-3H3
InChIKeyLRERXHBJSZWXOV-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.63
Rot. Bonds5

About (1-ethyl-2-methylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone

(1-ethyl-2-methylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone (PubChem CID 53357390) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is (1-ethyl-2-methylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name(1-ethyl-2-methylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone
PubChem CID53357390
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name(1-ethyl-2-methylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone
SMILESCCCn1c(C(=O)c2c(C)n(CC)c3ccccc23)cc2ccsc21
InChIInChI=1S/C21H22N2OS/c1-4-11-23-18(13-15-10-12-25-21(15)23)20(24)19-14(3)22(5-2)17-9-7-6-8-16(17)19/h6-10,12-13H,4-5,11H2,1-3H3
InChIKeyLRERXHBJSZWXOV-UHFFFAOYSA-N
XLogP5.63
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-2-methylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone?
The IUPAC name of (1-ethyl-2-methylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone (CID 53357390) is (1-ethyl-2-methylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone.
What is the SMILES notation for (1-ethyl-2-methylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone?
The canonical SMILES for (1-ethyl-2-methylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone is CCCn1c(C(=O)c2c(C)n(CC)c3ccccc23)cc2ccsc21.
What is the InChIKey of (1-ethyl-2-methylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone?
The InChIKey is LRERXHBJSZWXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-4-11-23-18(13-15-10-12-25-21(15)23)20(24)19-14(3)22(5-2)17-9-7-6-8-16(17)19/h6-10,12-13H,4-5,11H2,1-3H3.
What are the key properties of (1-ethyl-2-methylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone?
(1-ethyl-2-methylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone has a molecular weight of 350.49 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-2-methylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone is sourced from PubChem (CID 53357390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).