4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide

C14H14N2O2S — CID 6146501

IUPAC4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C(/C)c2cccs2)cc1
InChIInChI=1S/C14H14N2O2S/c1-10(13-4-3-9-19-13)15-16-14(17)11-5-7-12(18-2)8-6-11/h3-9H,1-2H3,(H,16,17)/b15-10-
InChIKeyKXXUOEQVQSEZJE-GDNBJRDFSA-N
MW274.35 g/mol
LogP2.91
Rot. Bonds4

About 4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide

4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide (PubChem CID 6146501) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
PubChem CID6146501
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C(/C)c2cccs2)cc1
InChIInChI=1S/C14H14N2O2S/c1-10(13-4-3-9-19-13)15-16-14(17)11-5-7-12(18-2)8-6-11/h3-9H,1-2H3,(H,16,17)/b15-10-
InChIKeyKXXUOEQVQSEZJE-GDNBJRDFSA-N
XLogP2.91
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.91
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

N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6144551
N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide
CID 6382408
3-bromo-4-methoxy-N-(1-thiophen-2-ylethylideneamino)benzamide
CID 5259004
3,4,5-trihydroxy-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 6029877
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
CID 155923428
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 135685177
3-(2,5-dimethoxyphenyl)-N-(1-thiophen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 4652301
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 5402037
N-[4-[N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4575514
3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 39354555
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide (CID 6146501) is 4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide is COc1ccc(C(=O)N/N=C(/C)c2cccs2)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide?
The InChIKey is KXXUOEQVQSEZJE-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-10(13-4-3-9-19-13)15-16-14(17)11-5-7-12(18-2)8-6-11/h3-9H,1-2H3,(H,16,17)/b15-10-.
What are the key properties of 4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide?
4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide has a molecular weight of 274.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide is sourced from PubChem (CID 6146501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).