N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide

C13H16N2OS — CID 90500614

IUPACN-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCCn1cccc1
InChIInChI=1S/C13H16N2OS/c16-13(11-12-5-3-10-17-12)14-6-4-9-15-7-1-2-8-15/h1-3,5,7-8,10H,4,6,9,11H2,(H,14,16)
InChIKeyMSOPCQMYGQCMDI-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.30
Rot. Bonds6

About N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide

N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide (PubChem CID 90500614) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide
PubChem CID90500614
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCCn1cccc1
InChIInChI=1S/C13H16N2OS/c16-13(11-12-5-3-10-17-12)14-6-4-9-15-7-1-2-8-15/h1-3,5,7-8,10H,4,6,9,11H2,(H,14,16)
InChIKeyMSOPCQMYGQCMDI-UHFFFAOYSA-N
XLogP2.30
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.30
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

2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119393187
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide
CID 110472557
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide
CID 51711691
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]butanamide
CID 108573245
N-(3-azidopropyl)-2-thiophen-2-ylacetamide
CID 55138752
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 110721082
2-hydroxy-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 47712275
N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide
CID 108542045
2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 110721086

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide (CID 90500614) is N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCCn1cccc1.
What is the InChIKey of N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide?
The InChIKey is MSOPCQMYGQCMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c16-13(11-12-5-3-10-17-12)14-6-4-9-15-7-1-2-8-15/h1-3,5,7-8,10H,4,6,9,11H2,(H,14,16).
What are the key properties of N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide?
N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide has a molecular weight of 248.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 90500614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).