N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-ethoxybenzamide

C14H13ClN2O2S — CID 6020557

IUPACN-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H13ClN2O2S/c1-2-19-11-5-3-10(4-6-11)14(18)17-16-9-12-7-8-13(15)20-12/h3-9H,2H2,1H3,(H,17,18)/b16-9-
InChIKeyRPFWVIHUEZWDRR-SXGWCWSVSA-N
MW308.79 g/mol
LogP3.56
Rot. Bonds5

About N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-ethoxybenzamide

N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-ethoxybenzamide (PubChem CID 6020557) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-ethoxybenzamide
PubChem CID6020557
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC NameN-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H13ClN2O2S/c1-2-19-11-5-3-10(4-6-11)14(18)17-16-9-12-7-8-13(15)20-12/h3-9H,2H2,1H3,(H,17,18)/b16-9-
InChIKeyRPFWVIHUEZWDRR-SXGWCWSVSA-N
XLogP3.56
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.56
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

4-tert-butyl-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide
CID 3529233
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[(E)-(5-chlorothiophen-2-yl)methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 126194085
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
5-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 6874584
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 137085188
N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246115
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 135577243
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
methyl N-[(5-chlorothiophen-2-yl)methylideneamino]carbamate
CID 3254663

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-ethoxybenzamide?
The IUPAC name of N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-ethoxybenzamide (CID 6020557) is N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-ethoxybenzamide.
What is the SMILES notation for N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-ethoxybenzamide?
The canonical SMILES for N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-ethoxybenzamide is CCOc1ccc(C(=O)N/N=C\c2ccc(Cl)s2)cc1.
What is the InChIKey of N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-ethoxybenzamide?
The InChIKey is RPFWVIHUEZWDRR-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-2-19-11-5-3-10(4-6-11)14(18)17-16-9-12-7-8-13(15)20-12/h3-9H,2H2,1H3,(H,17,18)/b16-9-.
What are the key properties of N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-ethoxybenzamide?
N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-ethoxybenzamide has a molecular weight of 308.79 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-ethoxybenzamide is sourced from PubChem (CID 6020557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).