N-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

C20H22N2OS — CID 46342493

IUPACN-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
SMILESO=C(CC(c1cccs1)n1cccc1)NCCCc1ccccc1
InChIInChI=1S/C20H22N2OS/c23-20(21-12-6-10-17-8-2-1-3-9-17)16-18(19-11-7-15-24-19)22-13-4-5-14-22/h1-5,7-9,11,13-15,18H,6,10,12,16H2,(H,21,23)
InChIKeyLFFYTQZFTUDKFI-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.28
Rot. Bonds8

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

N-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide (PubChem CID 46342493) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
PubChem CID46342493
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC NameN-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
SMILESO=C(CC(c1cccs1)n1cccc1)NCCCc1ccccc1
InChIInChI=1S/C20H22N2OS/c23-20(21-12-6-10-17-8-2-1-3-9-17)16-18(19-11-7-15-24-19)22-13-4-5-14-22/h1-5,7-9,11,13-15,18H,6,10,12,16H2,(H,21,23)
InChIKeyLFFYTQZFTUDKFI-UHFFFAOYSA-N
XLogP4.28
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708926
(3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708975
1-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(3-phenylpropyl)urea
CID 122265009
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide
CID 51728290
(2S)-2-amino-4-oxo-4-(3-phenylpropylamino)butanoic acid
CID 67284376
(3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708984
3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide
CID 46342788
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
N-(3-phenylpropyl)-3-sulfanylpropanamide
CID 107023597
N-(3-phenylpropyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 8720581
(3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708932
3-(ethylamino)-N-(3-phenylpropyl)butanamide
CID 62839193

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide (CID 46342493) is N-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide is O=C(CC(c1cccs1)n1cccc1)NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The InChIKey is LFFYTQZFTUDKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c23-20(21-12-6-10-17-8-2-1-3-9-17)16-18(19-11-7-15-24-19)22-13-4-5-14-22/h1-5,7-9,11,13-15,18H,6,10,12,16H2,(H,21,23).
What are the key properties of N-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
N-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide has a molecular weight of 338.48 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 46342493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).