N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide

C19H20N2OS — CID 110642169

IUPACN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1cc(CNC(=O)Cc2cccs2)c(C)n1-c1ccccc1
InChIInChI=1S/C19H20N2OS/c1-14-11-16(13-20-19(22)12-18-9-6-10-23-18)15(2)21(14)17-7-4-3-5-8-17/h3-11H,12-13H2,1-2H3,(H,20,22)
InChIKeyULHDZXZBAQTYFV-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.01
Rot. Bonds5

About N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide

N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 110642169) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID110642169
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC NameN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1cc(CNC(=O)Cc2cccs2)c(C)n1-c1ccccc1
InChIInChI=1S/C19H20N2OS/c1-14-11-16(13-20-19(22)12-18-9-6-10-23-18)15(2)21(14)17-7-4-3-5-8-17/h3-11H,12-13H2,1-2H3,(H,20,22)
InChIKeyULHDZXZBAQTYFV-UHFFFAOYSA-N
XLogP4.01
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide 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

2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid
CID 81318404
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide
CID 166396384
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide
CID 110642184
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine
CID 43090175
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110641784
2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide
CID 43214585
N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide
CID 5080692
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 110717409
N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 2801025

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide (CID 110642169) is N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide is Cc1cc(CNC(=O)Cc2cccs2)c(C)n1-c1ccccc1.
What is the InChIKey of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is ULHDZXZBAQTYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-14-11-16(13-20-19(22)12-18-9-6-10-23-18)15(2)21(14)17-7-4-3-5-8-17/h3-11H,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide?
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 324.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110642169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).