N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide

C19H24N2OS — CID 16889915

IUPACN-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H24N2OS/c22-19(15-18-6-4-14-23-18)20-11-3-5-16-7-9-17(10-8-16)21-12-1-2-13-21/h4,6-10,14H,1-3,5,11-13,15H2,(H,20,22)
InChIKeyWZNZJZSZWJLFMA-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.64
Rot. Bonds7

About N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide

N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide (PubChem CID 16889915) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide
PubChem CID16889915
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H24N2OS/c22-19(15-18-6-4-14-23-18)20-11-3-5-16-7-9-17(10-8-16)21-12-1-2-13-21/h4,6-10,14H,1-3,5,11-13,15H2,(H,20,22)
InChIKeyWZNZJZSZWJLFMA-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16892165
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide
CID 100672361
N-[3-(4-piperidin-1-ylphenyl)propyl]benzamide
CID 16890191
N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide
CID 16889785
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 30125667
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 73253664
N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109005175
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
N-(3-phenylpropyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 8720581
N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide
CID 16889766
2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide
CID 16890198

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide (CID 16889915) is N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCCc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide?
The InChIKey is WZNZJZSZWJLFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c22-19(15-18-6-4-14-23-18)20-11-3-5-16-7-9-17(10-8-16)21-12-1-2-13-21/h4,6-10,14H,1-3,5,11-13,15H2,(H,20,22).
What are the key properties of N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide?
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide has a molecular weight of 328.48 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 16889915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).