[(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(4-chlorophenoxy)methyl]benzoate

C19H15ClN2O3S — CID 19296291

IUPAC[(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(4-chlorophenoxy)methyl]benzoate
SMILESN/C(=N\OC(=O)c1cccc(COc2ccc(Cl)cc2)c1)c1cccs1
InChIInChI=1S/C19H15ClN2O3S/c20-15-6-8-16(9-7-15)24-12-13-3-1-4-14(11-13)19(23)25-22-18(21)17-5-2-10-26-17/h1-11H,12H2,(H2,21,22)
InChIKeyDAMWQVXHQWTLJM-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.46
Rot. Bonds6

About [(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(4-chlorophenoxy)methyl]benzoate

[(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(4-chlorophenoxy)methyl]benzoate (PubChem CID 19296291) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is [(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(4-chlorophenoxy)methyl]benzoate.

Molecular Properties

Compound Name[(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(4-chlorophenoxy)methyl]benzoate
PubChem CID19296291
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC Name[(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(4-chlorophenoxy)methyl]benzoate
SMILESN/C(=N\OC(=O)c1cccc(COc2ccc(Cl)cc2)c1)c1cccs1
InChIInChI=1S/C19H15ClN2O3S/c20-15-6-8-16(9-7-15)24-12-13-3-1-4-14(11-13)19(23)25-22-18(21)17-5-2-10-26-17/h1-11H,12H2,(H2,21,22)
InChIKeyDAMWQVXHQWTLJM-UHFFFAOYSA-N
XLogP4.46
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(4-chlorophenoxy)methyl]benzoate with MolForge

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Related Compounds

[(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(2,4-dimethylphenoxy)methyl]benzoate
CID 19324279
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-[(4-bromophenoxy)methyl]benzoate
CID 19292124
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-methoxybenzoate
CID 19296282
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-(trifluoromethyl)benzoate
CID 19324303
[(Z)-[amino(phenyl)methylidene]amino] 3-[(3-bromophenoxy)methyl]benzoate
CID 19289983
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate
CID 19296303
[(Z)-[amino-(4-nitrophenyl)methylidene]amino] 3-[(4-bromophenoxy)methyl]benzoate
CID 19294249
[(Z)-[amino-(3-amino-2-methylphenyl)methylidene]amino] 4-[(4-chlorophenoxy)methyl]benzoate
CID 19294106
2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate
CID 55386131
[(Z)-[amino-[4-(2-amino-2-oxoethoxy)phenyl]methylidene]amino] 3-[(2,4-difluorophenoxy)methyl]benzoate
CID 19298411
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 3-[(2,3-dichlorophenoxy)methyl]benzoate
CID 19296123
[(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate
CID 5332740

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(4-chlorophenoxy)methyl]benzoate?
The IUPAC name of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(4-chlorophenoxy)methyl]benzoate (CID 19296291) is [(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(4-chlorophenoxy)methyl]benzoate.
What is the SMILES notation for [(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(4-chlorophenoxy)methyl]benzoate?
The canonical SMILES for [(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(4-chlorophenoxy)methyl]benzoate is N/C(=N\OC(=O)c1cccc(COc2ccc(Cl)cc2)c1)c1cccs1.
What is the InChIKey of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(4-chlorophenoxy)methyl]benzoate?
The InChIKey is DAMWQVXHQWTLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c20-15-6-8-16(9-7-15)24-12-13-3-1-4-14(11-13)19(23)25-22-18(21)17-5-2-10-26-17/h1-11H,12H2,(H2,21,22).
What are the key properties of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(4-chlorophenoxy)methyl]benzoate?
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(4-chlorophenoxy)methyl]benzoate has a molecular weight of 386.86 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-[(4-chlorophenoxy)methyl]benzoate is sourced from PubChem (CID 19296291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).