N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide

C17H28N2OS — CID 110303146

IUPACN-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide
SMILESCC(C)(CNC(=O)CCCCc1cccs1)N1CCCC1
InChIInChI=1S/C17H28N2OS/c1-17(2,19-11-5-6-12-19)14-18-16(20)10-4-3-8-15-9-7-13-21-15/h7,9,13H,3-6,8,10-12,14H2,1-2H3,(H,18,20)
InChIKeyASLZGUBHQXZLEA-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.45
Rot. Bonds8

About N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide

N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide (PubChem CID 110303146) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide
PubChem CID110303146
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC NameN-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide
SMILESCC(C)(CNC(=O)CCCCc1cccs1)N1CCCC1
InChIInChI=1S/C17H28N2OS/c1-17(2,19-11-5-6-12-19)14-18-16(20)10-4-3-8-15-9-7-13-21-15/h7,9,13H,3-6,8,10-12,14H2,1-2H3,(H,18,20)
InChIKeyASLZGUBHQXZLEA-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 51164347
N-(2-hydroxy-2-methylpropyl)-4-thiophen-2-ylbutanamide
CID 65109989
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-2-ylpropanamide
CID 32716435
N-(2-methyl-2-morpholin-4-ylpropyl)-2-thiophen-2-ylacetamide
CID 47005477
N-[2-(ethylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119505635
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119500853
N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide
CID 103843539
N'-methyl-5-thiophen-2-ylpentanehydrazide
CID 116846588
N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide
CID 111333038
N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide
CID 114164697
ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate
CID 110297724
5-thiophen-2-ylpentanehydrazide
CID 70194284

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide?
The IUPAC name of N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide (CID 110303146) is N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide is CC(C)(CNC(=O)CCCCc1cccs1)N1CCCC1.
What is the InChIKey of N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide?
The InChIKey is ASLZGUBHQXZLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-17(2,19-11-5-6-12-19)14-18-16(20)10-4-3-8-15-9-7-13-21-15/h7,9,13H,3-6,8,10-12,14H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide?
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide has a molecular weight of 308.49 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 110303146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).