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

C19H17ClN2OS — CID 53357258

IUPAC(2-chloro-6H-thieno[2,3-b]pyrrol-5-yl)-(2-methyl-1-propylindol-3-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2cc3cc(Cl)sc3[nH]2)c2ccccc21
InChIInChI=1S/C19H17ClN2OS/c1-3-8-22-11(2)17(13-6-4-5-7-15(13)22)18(23)14-9-12-10-16(20)24-19(12)21-14/h4-7,9-10,21H,3,8H2,1-2H3
InChIKeyCUVOSUXRXGTEBS-UHFFFAOYSA-N
MW356.88 g/mol
LogP5.79
Rot. Bonds4

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

(2-chloro-6H-thieno[2,3-b]pyrrol-5-yl)-(2-methyl-1-propylindol-3-yl)methanone (PubChem CID 53357258) has the molecular formula C19H17ClN2OS and a molecular weight of 356.88 g/mol. Its IUPAC name is (2-chloro-6H-thieno[2,3-b]pyrrol-5-yl)-(2-methyl-1-propylindol-3-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6H-thieno[2,3-b]pyrrol-5-yl)-(2-methyl-1-propylindol-3-yl)methanone
PubChem CID53357258
Molecular FormulaC19H17ClN2OS
Molecular Weight356.88 g/mol
Exact Mass356.08
IUPAC Name(2-chloro-6H-thieno[2,3-b]pyrrol-5-yl)-(2-methyl-1-propylindol-3-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2cc3cc(Cl)sc3[nH]2)c2ccccc21
InChIInChI=1S/C19H17ClN2OS/c1-3-8-22-11(2)17(13-6-4-5-7-15(13)22)18(23)14-9-12-10-16(20)24-19(12)21-14/h4-7,9-10,21H,3,8H2,1-2H3
InChIKeyCUVOSUXRXGTEBS-UHFFFAOYSA-N
XLogP5.79
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.88
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6H-thieno[2,3-b]pyrrol-5-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The IUPAC name of (2-chloro-6H-thieno[2,3-b]pyrrol-5-yl)-(2-methyl-1-propylindol-3-yl)methanone (CID 53357258) is (2-chloro-6H-thieno[2,3-b]pyrrol-5-yl)-(2-methyl-1-propylindol-3-yl)methanone.
What is the SMILES notation for (2-chloro-6H-thieno[2,3-b]pyrrol-5-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The canonical SMILES for (2-chloro-6H-thieno[2,3-b]pyrrol-5-yl)-(2-methyl-1-propylindol-3-yl)methanone is CCCn1c(C)c(C(=O)c2cc3cc(Cl)sc3[nH]2)c2ccccc21.
What is the InChIKey of (2-chloro-6H-thieno[2,3-b]pyrrol-5-yl)-(2-methyl-1-propylindol-3-yl)methanone?
The InChIKey is CUVOSUXRXGTEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2OS/c1-3-8-22-11(2)17(13-6-4-5-7-15(13)22)18(23)14-9-12-10-16(20)24-19(12)21-14/h4-7,9-10,21H,3,8H2,1-2H3.
What are the key properties of (2-chloro-6H-thieno[2,3-b]pyrrol-5-yl)-(2-methyl-1-propylindol-3-yl)methanone?
(2-chloro-6H-thieno[2,3-b]pyrrol-5-yl)-(2-methyl-1-propylindol-3-yl)methanone has a molecular weight of 356.88 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6H-thieno[2,3-b]pyrrol-5-yl)-(2-methyl-1-propylindol-3-yl)methanone is sourced from PubChem (CID 53357258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).