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

C19H21N3OS — CID 53139748

IUPAC2-methyl-N-phenyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2[nH]c(C(=O)Nc3ccccc3)c(CN3CCCC3)c2s1
InChIInChI=1S/C19H21N3OS/c1-13-11-16-18(24-13)15(12-22-9-5-6-10-22)17(21-16)19(23)20-14-7-3-2-4-8-14/h2-4,7-8,11,21H,5-6,9-10,12H2,1H3,(H,20,23)
InChIKeyYDMIASATVCBYJX-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.39
Rot. Bonds4

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

2-methyl-N-phenyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 53139748) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-methyl-N-phenyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID53139748
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name2-methyl-N-phenyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2[nH]c(C(=O)Nc3ccccc3)c(CN3CCCC3)c2s1
InChIInChI=1S/C19H21N3OS/c1-13-11-16-18(24-13)15(12-22-9-5-6-10-22)17(21-16)19(23)20-14-7-3-2-4-8-14/h2-4,7-8,11,21H,5-6,9-10,12H2,1H3,(H,20,23)
InChIKeyYDMIASATVCBYJX-UHFFFAOYSA-N
XLogP4.39
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-methyl-N-phenyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 53139748) is 2-methyl-N-phenyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-phenyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-methyl-N-phenyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is Cc1cc2[nH]c(C(=O)Nc3ccccc3)c(CN3CCCC3)c2s1.
What is the InChIKey of 2-methyl-N-phenyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is YDMIASATVCBYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13-11-16-18(24-13)15(12-22-9-5-6-10-22)17(21-16)19(23)20-14-7-3-2-4-8-14/h2-4,7-8,11,21H,5-6,9-10,12H2,1H3,(H,20,23).
What are the key properties of 2-methyl-N-phenyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
2-methyl-N-phenyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 53139748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).