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

C22H24N2OS — CID 53357396

IUPAC(2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2cc3ccsc3n2CCC)c2ccccc21
InChIInChI=1S/C22H24N2OS/c1-4-11-23-15(3)20(17-8-6-7-9-18(17)23)21(25)19-14-16-10-13-26-22(16)24(19)12-5-2/h6-10,13-14H,4-5,11-12H2,1-3H3
InChIKeyIDKKZAPVXOZNJA-UHFFFAOYSA-N
MW364.51 g/mol
LogP6.02
Rot. Bonds6

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

(2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone (PubChem CID 53357396) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is (2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone
PubChem CID53357396
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name(2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2cc3ccsc3n2CCC)c2ccccc21
InChIInChI=1S/C22H24N2OS/c1-4-11-23-15(3)20(17-8-6-7-9-18(17)23)21(25)19-14-16-10-13-26-22(16)24(19)12-5-2/h6-10,13-14H,4-5,11-12H2,1-3H3
InChIKeyIDKKZAPVXOZNJA-UHFFFAOYSA-N
XLogP6.02
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone?
The IUPAC name of (2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone (CID 53357396) is (2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone.
What is the SMILES notation for (2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone?
The canonical SMILES for (2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone is CCCn1c(C)c(C(=O)c2cc3ccsc3n2CCC)c2ccccc21.
What is the InChIKey of (2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone?
The InChIKey is IDKKZAPVXOZNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-4-11-23-15(3)20(17-8-6-7-9-18(17)23)21(25)19-14-16-10-13-26-22(16)24(19)12-5-2/h6-10,13-14H,4-5,11-12H2,1-3H3.
What are the key properties of (2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone?
(2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone has a molecular weight of 364.51 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone is sourced from PubChem (CID 53357396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).