(2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide

C14H14N2O2S — CID 5396029

IUPAC(2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)N/N=C/c1cccs1
InChIInChI=1S/C14H14N2O2S/c1-11(18-12-6-3-2-4-7-12)14(17)16-15-10-13-8-5-9-19-13/h2-11H,1H3,(H,16,17)/b15-10+/t11-/m1/s1
InChIKeyVVDWJARQHBZOGZ-HGLKBHAMSA-N
MW274.35 g/mol
LogP2.67
Rot. Bonds5

About (2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide

(2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide (PubChem CID 5396029) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is (2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide
PubChem CID5396029
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name(2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide
SMILESC[C@@H](Oc1ccccc1)C(=O)N/N=C/c1cccs1
InChIInChI=1S/C14H14N2O2S/c1-11(18-12-6-3-2-4-7-12)14(17)16-15-10-13-8-5-9-19-13/h2-11H,1H3,(H,16,17)/b15-10+/t11-/m1/s1
InChIKeyVVDWJARQHBZOGZ-HGLKBHAMSA-N
XLogP2.67
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenoxypropanamide
CID 135603975
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide
CID 5003080
N-(butylideneamino)-2-phenoxypropanamide
CID 4633642
(2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 126211490
[4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate
CID 4633646
N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939947
N-[(E)-thiophen-2-ylmethylideneamino]carbamate
CID 23220005
(2S)-2-(4-chlorophenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]propanamide
CID 1229715
4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5413555
tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate
CID 5399730
N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
CID 5333361

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide?
The IUPAC name of (2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide (CID 5396029) is (2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide.
What is the SMILES notation for (2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide?
The canonical SMILES for (2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide is C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1cccs1.
What is the InChIKey of (2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide?
The InChIKey is VVDWJARQHBZOGZ-HGLKBHAMSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-11(18-12-6-3-2-4-7-12)14(17)16-15-10-13-8-5-9-19-13/h2-11H,1H3,(H,16,17)/b15-10+/t11-/m1/s1.
What are the key properties of (2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide?
(2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide has a molecular weight of 274.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenoxy-N-[(E)-thiophen-2-ylmethylideneamino]propanamide is sourced from PubChem (CID 5396029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).