(3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

C19H20N2OS — CID 92708926

IUPAC(3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
SMILESO=C(C[C@H](c1cccs1)n1cccc1)NCCc1ccccc1
InChIInChI=1S/C19H20N2OS/c22-19(20-11-10-16-7-2-1-3-8-16)15-17(18-9-6-14-23-18)21-12-4-5-13-21/h1-9,12-14,17H,10-11,15H2,(H,20,22)/t17-/m1/s1
InChIKeyAUZIOVDJRCQKGG-QGZVFWFLSA-N
MW324.45 g/mol
LogP3.89
Rot. Bonds7

About (3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

(3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide (PubChem CID 92708926) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is (3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
PubChem CID92708926
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name(3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
SMILESO=C(C[C@H](c1cccs1)n1cccc1)NCCc1ccccc1
InChIInChI=1S/C19H20N2OS/c22-19(20-11-10-16-7-2-1-3-8-16)15-17(18-9-6-14-23-18)21-12-4-5-13-21/h1-9,12-14,17H,10-11,15H2,(H,20,22)/t17-/m1/s1
InChIKeyAUZIOVDJRCQKGG-QGZVFWFLSA-N
XLogP3.89
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 46342493
(3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708975
3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide
CID 46342788
(3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708984
N-(2-phenylethyl)-2-pyrrol-1-ylpropanamide
CID 17086628
2-[(2-chloroacetyl)amino]-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
CID 175945806
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide
CID 51728290
(3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708932
N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 102562849
2-[[N'-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111284188
[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium
CID 8867151
N-(2-oxo-1,3-diazinan-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 167837268

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The IUPAC name of (3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide (CID 92708926) is (3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide is O=C(C[C@H](c1cccs1)n1cccc1)NCCc1ccccc1.
What is the InChIKey of (3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The InChIKey is AUZIOVDJRCQKGG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N2OS/c22-19(20-11-10-16-7-2-1-3-8-16)15-17(18-9-6-14-23-18)21-12-4-5-13-21/h1-9,12-14,17H,10-11,15H2,(H,20,22)/t17-/m1/s1.
What are the key properties of (3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
(3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide has a molecular weight of 324.45 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 92708926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).