6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide

C22H28N3OS+ — CID 7215375

IUPAC6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
SMILESO=C(NCC[NH+]1CCCC1)c1cc2ccsc2n1CCCc1ccccc1
InChIInChI=1S/C22H27N3OS/c26-21(23-11-15-24-12-4-5-13-24)20-17-19-10-16-27-22(19)25(20)14-6-9-18-7-2-1-3-8-18/h1-3,7-8,10,16-17H,4-6,9,11-15H2,(H,23,26)/p+1
InChIKeyRTWNDEQTVRFGKF-UHFFFAOYSA-O
MW382.55 g/mol
LogP2.74
Rot. Bonds8

About 6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide

6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 7215375) has the molecular formula C22H28N3OS+ and a molecular weight of 382.55 g/mol. Its IUPAC name is 6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID7215375
Molecular FormulaC22H28N3OS+
Molecular Weight382.55 g/mol
Exact Mass382.19
IUPAC Name6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
SMILESO=C(NCC[NH+]1CCCC1)c1cc2ccsc2n1CCCc1ccccc1
InChIInChI=1S/C22H27N3OS/c26-21(23-11-15-24-12-4-5-13-24)20-17-19-10-16-27-22(19)25(20)14-6-9-18-7-2-1-3-8-18/h1-3,7-8,10,16-17H,4-6,9,11-15H2,(H,23,26)/p+1
InChIKeyRTWNDEQTVRFGKF-UHFFFAOYSA-O
XLogP2.74
TPSA38.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide with MolForge

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Related Compounds

6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 7215376
(4-ethylpiperazin-4-ium-1-yl)-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone
CID 7261312
morpholin-4-yl-[6-(3-phenylpropyl)thieno[2,3-b]pyrrol-5-yl]methanone
CID 7231189
6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 4131807
methyl 6-[2-oxo-2-(3-phenylpropylamino)ethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024504
6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide
CID 7301899
(2R)-2-methyl-N-(2-methylphenyl)-4-[6-(3-phenylpropyl)thieno[2,3-b]pyrrole-5-carbonyl]piperazine-1-carboxamide
CID 93117173
(2S)-2-methyl-N-(2-methylphenyl)-4-[6-(3-phenylpropyl)thieno[2,3-b]pyrrole-5-carbonyl]piperazine-1-carboxamide
CID 93117172
4-benzyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437560
1-(3-chlorophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7218444
methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate
CID 6625222
methyl 6-[2-[benzyl(ethyl)amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 20883428

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of 6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide (CID 7215375) is 6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for 6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for 6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide is O=C(NCC[NH+]1CCCC1)c1cc2ccsc2n1CCCc1ccccc1.
What is the InChIKey of 6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is RTWNDEQTVRFGKF-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H27N3OS/c26-21(23-11-15-24-12-4-5-13-24)20-17-19-10-16-27-22(19)25(20)14-6-9-18-7-2-1-3-8-18/h1-3,7-8,10,16-17H,4-6,9,11-15H2,(H,23,26)/p+1.
What are the key properties of 6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide?
6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 382.55 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 7215375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).