2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide

C18H22N2O2S — CID 4564846

IUPAC2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1ccc(C(C)(C)C)cc1)c1cccs1
InChIInChI=1S/C18H22N2O2S/c1-13(16-6-5-11-23-16)19-20-17(21)12-22-15-9-7-14(8-10-15)18(2,3)4/h5-11H,12H2,1-4H3,(H,20,21)
InChIKeyNZIUTDAPXJNEQK-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.96
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide

2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide (PubChem CID 4564846) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide
PubChem CID4564846
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1ccc(C(C)(C)C)cc1)c1cccs1
InChIInChI=1S/C18H22N2O2S/c1-13(16-6-5-11-23-16)19-20-17(21)12-22-15-9-7-14(8-10-15)18(2,3)4/h5-11H,12H2,1-4H3,(H,20,21)
InChIKeyNZIUTDAPXJNEQK-UHFFFAOYSA-N
XLogP3.96
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.96
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

2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 126263054
2-(4-tert-butylphenoxy)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 921053
2-(4-tert-butylphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135560522
2-naphthalen-1-yloxy-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 5406666
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885
(4Z)-4-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-4-thiophen-2-ylbutanoic acid
CID 6145286
2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 6368206
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-2-(4-tert-butylphenoxy)acetamide
CID 6262544
2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9176423
2-(4-methyl-2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 3495541
4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 6146501

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide (CID 4564846) is 2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide is CC(=NNC(=O)COc1ccc(C(C)(C)C)cc1)c1cccs1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide?
The InChIKey is NZIUTDAPXJNEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13(16-6-5-11-23-16)19-20-17(21)12-22-15-9-7-14(8-10-15)18(2,3)4/h5-11H,12H2,1-4H3,(H,20,21).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide?
2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide is sourced from PubChem (CID 4564846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).