(E)-N-(4-azidobutyl)-3-thiophen-2-ylprop-2-enamide

C11H14N4OS — CID 106386523

IUPAC(E)-N-(4-azidobutyl)-3-thiophen-2-ylprop-2-enamide
SMILES[N-]=[N+]=NCCCCNC(=O)/C=C/c1cccs1
InChIInChI=1S/C11H14N4OS/c12-15-14-8-2-1-7-13-11(16)6-5-10-4-3-9-17-10/h3-6,9H,1-2,7-8H2,(H,13,16)/b6-5+
InChIKeyHFJLPRGYLDDSEL-AATRIKPKSA-N
MW250.33 g/mol
LogP2.97
Rot. Bonds7

About (E)-N-(4-azidobutyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(4-azidobutyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 106386523) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is (E)-N-(4-azidobutyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-azidobutyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID106386523
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name(E)-N-(4-azidobutyl)-3-thiophen-2-ylprop-2-enamide
SMILES[N-]=[N+]=NCCCCNC(=O)/C=C/c1cccs1
InChIInChI=1S/C11H14N4OS/c12-15-14-8-2-1-7-13-11(16)6-5-10-4-3-9-17-10/h3-6,9H,1-2,7-8H2,(H,13,16)/b6-5+
InChIKeyHFJLPRGYLDDSEL-AATRIKPKSA-N
XLogP2.97
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.97
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]butanoic acid
CID 24708663
(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
CID 131668133
(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 17407233
(E)-N-(4-azidobutyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 106386697
(E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide
CID 887285
N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 76948189
(E)-N-(2-phenylsulfanylethyl)-3-thiophen-2-ylprop-2-enamide
CID 9483071
(E)-N-[5-[benzyl(ethyl)amino]pentyl]-3-thiophen-2-ylprop-2-enamide
CID 15741719
2,2-dimethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoic acid
CID 81370089
N-(3-azidopropyl)-2-thiophen-2-ylacetamide
CID 55138752
(E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 82994511
N-(3-hydroxy-4,4-dimethylpentyl)-3-thiophen-2-ylprop-2-enamide
CID 71960773

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-azidobutyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-azidobutyl)-3-thiophen-2-ylprop-2-enamide (CID 106386523) is (E)-N-(4-azidobutyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-azidobutyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-azidobutyl)-3-thiophen-2-ylprop-2-enamide is [N-]=[N+]=NCCCCNC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-(4-azidobutyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is HFJLPRGYLDDSEL-AATRIKPKSA-N. The full InChI is InChI=1S/C11H14N4OS/c12-15-14-8-2-1-7-13-11(16)6-5-10-4-3-9-17-10/h3-6,9H,1-2,7-8H2,(H,13,16)/b6-5+.
What are the key properties of (E)-N-(4-azidobutyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(4-azidobutyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 250.33 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-azidobutyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 106386523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).