5-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide

C14H13ClN2O2S — CID 6874584

IUPAC5-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H13ClN2O2S/c1-2-19-11-5-3-10(4-6-11)9-16-17-14(18)12-7-8-13(15)20-12/h3-9H,2H2,1H3,(H,17,18)/b16-9+
InChIKeyGGLNGYDCGJPORK-CXUHLZMHSA-N
MW308.79 g/mol
LogP3.56
Rot. Bonds5

About 5-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide

5-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 6874584) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 5-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID6874584
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name5-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H13ClN2O2S/c1-2-19-11-5-3-10(4-6-11)9-16-17-14(18)12-7-8-13(15)20-12/h3-9H,2H2,1H3,(H,17,18)/b16-9+
InChIKeyGGLNGYDCGJPORK-CXUHLZMHSA-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

1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-4-ethoxybenzamide
CID 6020557
3-chloro-N-[(4-ethoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 4689415
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 17141081
4-amino-3,5,6-trichloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6903577
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate
CID 18532072
N-[(4-ethoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 5031002

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide (CID 6874584) is 5-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide is CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 5-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is GGLNGYDCGJPORK-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-2-19-11-5-3-10(4-6-11)9-16-17-14(18)12-7-8-13(15)20-12/h3-9H,2H2,1H3,(H,17,18)/b16-9+.
What are the key properties of 5-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide?
5-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide 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 5-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 6874584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).