N-(3-azidopropyl)-2-thiophen-2-ylacetamide

C9H12N4OS — CID 55138752

IUPACN-(3-azidopropyl)-2-thiophen-2-ylacetamide
SMILES[N-]=[N+]=NCCCNC(=O)Cc1cccs1
InChIInChI=1S/C9H12N4OS/c10-13-12-5-2-4-11-9(14)7-8-3-1-6-15-8/h1,3,6H,2,4-5,7H2,(H,11,14)
InChIKeyRIGQUNXCXUOPAR-UHFFFAOYSA-N
MW224.29 g/mol
LogP2.11
Rot. Bonds6

About N-(3-azidopropyl)-2-thiophen-2-ylacetamide

N-(3-azidopropyl)-2-thiophen-2-ylacetamide (PubChem CID 55138752) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is N-(3-azidopropyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-2-thiophen-2-ylacetamide
PubChem CID55138752
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC NameN-(3-azidopropyl)-2-thiophen-2-ylacetamide
SMILES[N-]=[N+]=NCCCNC(=O)Cc1cccs1
InChIInChI=1S/C9H12N4OS/c10-13-12-5-2-4-11-9(14)7-8-3-1-6-15-8/h1,3,6H,2,4-5,7H2,(H,11,14)
InChIKeyRIGQUNXCXUOPAR-UHFFFAOYSA-N
XLogP2.11
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', '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-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide
CID 90500614
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]butanamide
CID 108573245
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide
CID 108542045
2-hydroxy-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 47712275
N-(3-pyridin-2-ylpropyl)-2-thiophen-2-ylacetamide
CID 110660977
N-(3-azidopropyl)-3-phenylpropanamide
CID 61344003
(E)-N-(4-azidobutyl)-3-thiophen-2-ylprop-2-enamide
CID 106386523
2-[2-[(2-thiophen-2-ylacetyl)amino]acetyl]sulfanylacetic acid
CID 122180360
N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119393187

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3-azidopropyl)-2-thiophen-2-ylacetamide (CID 55138752) is N-(3-azidopropyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-azidopropyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-azidopropyl)-2-thiophen-2-ylacetamide is [N-]=[N+]=NCCCNC(=O)Cc1cccs1.
What is the InChIKey of N-(3-azidopropyl)-2-thiophen-2-ylacetamide?
The InChIKey is RIGQUNXCXUOPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c10-13-12-5-2-4-11-9(14)7-8-3-1-6-15-8/h1,3,6H,2,4-5,7H2,(H,11,14).
What are the key properties of N-(3-azidopropyl)-2-thiophen-2-ylacetamide?
N-(3-azidopropyl)-2-thiophen-2-ylacetamide has a molecular weight of 224.29 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 55138752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).