N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide

C18H22N2OS — CID 71972333

IUPACN-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)Cc1cccs1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C18H22N2OS/c1-14(19-18(21)13-17-8-5-11-22-17)15-6-4-7-16(12-15)20-9-2-3-10-20/h4-8,11-12,14H,2-3,9-10,13H2,1H3,(H,19,21)
InChIKeyZYUSFAYTIPEGBH-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.77
Rot. Bonds5

About N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide

N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 71972333) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID71972333
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)Cc1cccs1)c1cccc(N2CCCC2)c1
InChIInChI=1S/C18H22N2OS/c1-14(19-18(21)13-17-8-5-11-22-17)15-6-4-7-16(12-15)20-9-2-3-10-20/h4-8,11-12,14H,2-3,9-10,13H2,1H3,(H,19,21)
InChIKeyZYUSFAYTIPEGBH-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-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

N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 99779947
N-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide
CID 175743962
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971097
N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42999115
1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide
CID 166234095
3-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]butanamide;dihydrochloride
CID 119900427
N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 75871633
5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 71972332
N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 71856468
2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 32966489
2-methyl-3-[methyl-[1-(3-pyrrolidin-1-ylphenyl)ethylcarbamoyl]amino]propanoic acid
CID 122005980
N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide
CID 112984453

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide (CID 71972333) is N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide is CC(NC(=O)Cc1cccs1)c1cccc(N2CCCC2)c1.
What is the InChIKey of N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is ZYUSFAYTIPEGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-14(19-18(21)13-17-8-5-11-22-17)15-6-4-7-16(12-15)20-9-2-3-10-20/h4-8,11-12,14H,2-3,9-10,13H2,1H3,(H,19,21).
What are the key properties of N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide?
N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 314.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71972333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).