[(Z)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-(2-chlorophenyl)prop-2-enoate

C14H11ClN2O2S — CID 19296248

IUPAC[(Z)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-(2-chlorophenyl)prop-2-enoate
SMILESN/C(=N\OC(=O)/C=C/c1ccccc1Cl)c1cccs1
InChIInChI=1S/C14H11ClN2O2S/c15-11-5-2-1-4-10(11)7-8-13(18)19-17-14(16)12-6-3-9-20-12/h1-9H,(H2,16,17)/b8-7+
InChIKeySQNHENSJVUFKLH-BQYQJAHWSA-N
MW306.77 g/mol
LogP3.28
Rot. Bonds4

About [(Z)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-(2-chlorophenyl)prop-2-enoate

[(Z)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-(2-chlorophenyl)prop-2-enoate (PubChem CID 19296248) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is [(Z)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-(2-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[(Z)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-(2-chlorophenyl)prop-2-enoate
PubChem CID19296248
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name[(Z)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-(2-chlorophenyl)prop-2-enoate
SMILESN/C(=N\OC(=O)/C=C/c1ccccc1Cl)c1cccs1
InChIInChI=1S/C14H11ClN2O2S/c15-11-5-2-1-4-10(11)7-8-13(18)19-17-14(16)12-6-3-9-20-12/h1-9H,(H2,16,17)/b8-7+
InChIKeySQNHENSJVUFKLH-BQYQJAHWSA-N
XLogP3.28
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[amino(thiophen-2-yl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 19296276
[(E)-[amino-(2-chlorophenyl)methylidene]amino] thiophene-2-carboxylate
CID 6088369
amino (E)-3-(2-chlorophenyl)prop-2-enoate
CID 10012953
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-chlorophenyl)acetamide
CID 103597657
[(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate
CID 5332740
(E)-3-(2-chlorophenyl)-2-thiophen-2-ylprop-2-enoic acid
CID 43244503
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-methylbenzoate
CID 19324371
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642
[(Z)-1-thiophen-2-ylethylideneamino] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6390063
[2-(2,6-dichloroanilino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 6219278
(E)-3-(2-chlorophenyl)-N-[(1-thiophen-2-yltriazol-4-yl)methyl]prop-2-enamide
CID 122245696
(E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 5387158

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-(2-chlorophenyl)prop-2-enoate?
The IUPAC name of [(Z)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-(2-chlorophenyl)prop-2-enoate (CID 19296248) is [(Z)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-(2-chlorophenyl)prop-2-enoate.
What is the SMILES notation for [(Z)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-(2-chlorophenyl)prop-2-enoate?
The canonical SMILES for [(Z)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-(2-chlorophenyl)prop-2-enoate is N/C(=N\OC(=O)/C=C/c1ccccc1Cl)c1cccs1.
What is the InChIKey of [(Z)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-(2-chlorophenyl)prop-2-enoate?
The InChIKey is SQNHENSJVUFKLH-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c15-11-5-2-1-4-10(11)7-8-13(18)19-17-14(16)12-6-3-9-20-12/h1-9H,(H2,16,17)/b8-7+.
What are the key properties of [(Z)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-(2-chlorophenyl)prop-2-enoate?
[(Z)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-(2-chlorophenyl)prop-2-enoate has a molecular weight of 306.77 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(thiophen-2-yl)methylidene]amino] (E)-3-(2-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 19296248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).