2-methyl-N-(2-methylphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

C20H23N3OS — CID 53139723

IUPAC2-methyl-N-(2-methylphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2[nH]c(C(=O)Nc3ccccc3C)c(CN3CCCC3)c2s1
InChIInChI=1S/C20H23N3OS/c1-13-7-3-4-8-16(13)22-20(24)18-15(12-23-9-5-6-10-23)19-17(21-18)11-14(2)25-19/h3-4,7-8,11,21H,5-6,9-10,12H2,1-2H3,(H,22,24)
InChIKeyGCVXOGSENLOUTR-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.69
Rot. Bonds4

About 2-methyl-N-(2-methylphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

2-methyl-N-(2-methylphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 53139723) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID53139723
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name2-methyl-N-(2-methylphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2[nH]c(C(=O)Nc3ccccc3C)c(CN3CCCC3)c2s1
InChIInChI=1S/C20H23N3OS/c1-13-7-3-4-8-16(13)22-20(24)18-15(12-23-9-5-6-10-23)19-17(21-18)11-14(2)25-19/h3-4,7-8,11,21H,5-6,9-10,12H2,1-2H3,(H,22,24)
InChIKeyGCVXOGSENLOUTR-UHFFFAOYSA-N
XLogP4.69
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 53139723) is 2-methyl-N-(2-methylphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is Cc1cc2[nH]c(C(=O)Nc3ccccc3C)c(CN3CCCC3)c2s1.
What is the InChIKey of 2-methyl-N-(2-methylphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is GCVXOGSENLOUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-13-7-3-4-8-16(13)22-20(24)18-15(12-23-9-5-6-10-23)19-17(21-18)11-14(2)25-19/h3-4,7-8,11,21H,5-6,9-10,12H2,1-2H3,(H,22,24).
What are the key properties of 2-methyl-N-(2-methylphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
2-methyl-N-(2-methylphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylphenyl)-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 53139723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).