(4Z)-4-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid

C17H18N2O5S — CID 6145286

IUPAC(4Z)-4-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid
SMILESCOc1ccc(OCC(=O)N/N=C(/CCC(=O)O)c2cccs2)cc1
InChIInChI=1S/C17H18N2O5S/c1-23-12-4-6-13(7-5-12)24-11-16(20)19-18-14(8-9-17(21)22)15-3-2-10-25-15/h2-7,10H,8-9,11H2,1H3,(H,19,20)(H,21,22)/b18-14-
InChIKeyMQVVRKGQFCHGHE-JXAWBTAJSA-N
MW362.41 g/mol
LogP2.52
Rot. Bonds9

About (4Z)-4-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid

(4Z)-4-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid (PubChem CID 6145286) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is (4Z)-4-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid.

Molecular Properties

Compound Name(4Z)-4-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid
PubChem CID6145286
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name(4Z)-4-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid
SMILESCOc1ccc(OCC(=O)N/N=C(/CCC(=O)O)c2cccs2)cc1
InChIInChI=1S/C17H18N2O5S/c1-23-12-4-6-13(7-5-12)24-11-16(20)19-18-14(8-9-17(21)22)15-3-2-10-25-15/h2-7,10H,8-9,11H2,1H3,(H,19,20)(H,21,22)/b18-14-
InChIKeyMQVVRKGQFCHGHE-JXAWBTAJSA-N
XLogP2.52
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(E)-4-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-4-thiophen-2-ylbut-3-enoic acid
CID 2422668
2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 4564846
4-(methylcarbamothioylhydrazinylidene)-4-thiophen-2-ylbutanoic acid
CID 4690416
4-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid
CID 3267397
2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 3559145
(4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 5341278
4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid
CID 4247588
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6176429
2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9176423
5-[2-[2-(4-methoxyphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949711
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914091
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid?
The IUPAC name of (4Z)-4-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid (CID 6145286) is (4Z)-4-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid.
What is the SMILES notation for (4Z)-4-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid?
The canonical SMILES for (4Z)-4-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid is COc1ccc(OCC(=O)N/N=C(/CCC(=O)O)c2cccs2)cc1.
What is the InChIKey of (4Z)-4-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid?
The InChIKey is MQVVRKGQFCHGHE-JXAWBTAJSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-23-12-4-6-13(7-5-12)24-11-16(20)19-18-14(8-9-17(21)22)15-3-2-10-25-15/h2-7,10H,8-9,11H2,1H3,(H,19,20)(H,21,22)/b18-14-.
What are the key properties of (4Z)-4-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid?
(4Z)-4-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid has a molecular weight of 362.41 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid is sourced from PubChem (CID 6145286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).