3-phenyl-2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide

C18H18N2OS — CID 5307384

IUPAC3-phenyl-2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(NCc1cccs1)C(Cc1ccccc1)n1cccc1
InChIInChI=1S/C18H18N2OS/c21-18(19-14-16-9-6-12-22-16)17(20-10-4-5-11-20)13-15-7-2-1-3-8-15/h1-12,17H,13-14H2,(H,19,21)
InChIKeyAPFPTBXLYNLAKY-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.65
Rot. Bonds6

About 3-phenyl-2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide

3-phenyl-2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 5307384) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-phenyl-2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-phenyl-2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID5307384
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name3-phenyl-2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(NCc1cccs1)C(Cc1ccccc1)n1cccc1
InChIInChI=1S/C18H18N2OS/c21-18(19-14-16-9-6-12-22-16)17(20-10-4-5-11-20)13-15-7-2-1-3-8-15/h1-12,17H,13-14H2,(H,19,21)
InChIKeyAPFPTBXLYNLAKY-UHFFFAOYSA-N
XLogP3.65
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-phenyl-2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide (CID 5307384) is 3-phenyl-2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-phenyl-2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-phenyl-2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide is O=C(NCc1cccs1)C(Cc1ccccc1)n1cccc1.
What is the InChIKey of 3-phenyl-2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is APFPTBXLYNLAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c21-18(19-14-16-9-6-12-22-16)17(20-10-4-5-11-20)13-15-7-2-1-3-8-15/h1-12,17H,13-14H2,(H,19,21).
What are the key properties of 3-phenyl-2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide?
3-phenyl-2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 310.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 5307384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).