N-[amino-(2-amino-5-formylthiophen-3-yl)methylidene]-4-methoxybenzamide;1-(2-ethylphenyl)-2-methylhydrazine

C23H27N5O3S — CID 143286227

IUPACN-[amino-(2-amino-5-formylthiophen-3-yl)methylidene]-4-methoxybenzamide;1-(2-ethylphenyl)-2-methylhydrazine
SMILESCCc1ccccc1NNC.COc1ccc(C(=O)/N=C(\N)c2cc(C=O)sc2N)cc1
InChIInChI=1S/C14H13N3O3S.C9H14N2/c1-20-9-4-2-8(3-5-9)14(19)17-12(15)11-6-10(7-18)21-13(11)16;1-3-8-6-4-5-7-9(8)11-10-2/h2-7H,16H2,1H3,(H2,15,17,19);4-7,10-11H,3H2,1-2H3
InChIKeyQPSXLPVANLVIEY-UHFFFAOYSA-N
MW453.57 g/mol
LogP3.49
Rot. Bonds7

About N-[amino-(2-amino-5-formylthiophen-3-yl)methylidene]-4-methoxybenzamide;1-(2-ethylphenyl)-2-methylhydrazine

N-[amino-(2-amino-5-formylthiophen-3-yl)methylidene]-4-methoxybenzamide;1-(2-ethylphenyl)-2-methylhydrazine (PubChem CID 143286227) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is N-[amino-(2-amino-5-formylthiophen-3-yl)methylidene]-4-methoxybenzamide;1-(2-ethylphenyl)-2-methylhydrazine.

Molecular Properties

Compound NameN-[amino-(2-amino-5-formylthiophen-3-yl)methylidene]-4-methoxybenzamide;1-(2-ethylphenyl)-2-methylhydrazine
PubChem CID143286227
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC NameN-[amino-(2-amino-5-formylthiophen-3-yl)methylidene]-4-methoxybenzamide;1-(2-ethylphenyl)-2-methylhydrazine
SMILESCCc1ccccc1NNC.COc1ccc(C(=O)/N=C(\N)c2cc(C=O)sc2N)cc1
InChIInChI=1S/C14H13N3O3S.C9H14N2/c1-20-9-4-2-8(3-5-9)14(19)17-12(15)11-6-10(7-18)21-13(11)16;1-3-8-6-4-5-7-9(8)11-10-2/h2-7H,16H2,1H3,(H2,15,17,19);4-7,10-11H,3H2,1-2H3
InChIKeyQPSXLPVANLVIEY-UHFFFAOYSA-N
XLogP3.49
TPSA131.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 53.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2-ethylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113046649
N-(1,2-diaminoethylidene)-4-methoxybenzamide
CID 145143005
2-(2-ethylanilino)-4-methoxybenzenecarbothioamide
CID 81306826
N-(2-formylphenyl)-4-methoxybenzamide
CID 585595
N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide
CID 585009
N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113046657
2-amino-3-(2-ethylanilino)benzamide
CID 113332482
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
methyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate
CID 19894835
N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 3318922
1-(2-ethylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907781
ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate
CID 22257964

Frequently Asked Questions

What is the IUPAC name of N-[amino-(2-amino-5-formylthiophen-3-yl)methylidene]-4-methoxybenzamide;1-(2-ethylphenyl)-2-methylhydrazine?
The IUPAC name of N-[amino-(2-amino-5-formylthiophen-3-yl)methylidene]-4-methoxybenzamide;1-(2-ethylphenyl)-2-methylhydrazine (CID 143286227) is N-[amino-(2-amino-5-formylthiophen-3-yl)methylidene]-4-methoxybenzamide;1-(2-ethylphenyl)-2-methylhydrazine.
What is the SMILES notation for N-[amino-(2-amino-5-formylthiophen-3-yl)methylidene]-4-methoxybenzamide;1-(2-ethylphenyl)-2-methylhydrazine?
The canonical SMILES for N-[amino-(2-amino-5-formylthiophen-3-yl)methylidene]-4-methoxybenzamide;1-(2-ethylphenyl)-2-methylhydrazine is CCc1ccccc1NNC.COc1ccc(C(=O)/N=C(\N)c2cc(C=O)sc2N)cc1.
What is the InChIKey of N-[amino-(2-amino-5-formylthiophen-3-yl)methylidene]-4-methoxybenzamide;1-(2-ethylphenyl)-2-methylhydrazine?
The InChIKey is QPSXLPVANLVIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S.C9H14N2/c1-20-9-4-2-8(3-5-9)14(19)17-12(15)11-6-10(7-18)21-13(11)16;1-3-8-6-4-5-7-9(8)11-10-2/h2-7H,16H2,1H3,(H2,15,17,19);4-7,10-11H,3H2,1-2H3.
What are the key properties of N-[amino-(2-amino-5-formylthiophen-3-yl)methylidene]-4-methoxybenzamide;1-(2-ethylphenyl)-2-methylhydrazine?
N-[amino-(2-amino-5-formylthiophen-3-yl)methylidene]-4-methoxybenzamide;1-(2-ethylphenyl)-2-methylhydrazine has a molecular weight of 453.57 g/mol, XLogP of 3.49, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(2-amino-5-formylthiophen-3-yl)methylidene]-4-methoxybenzamide;1-(2-ethylphenyl)-2-methylhydrazine is sourced from PubChem (CID 143286227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).