2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

C17H20N2OS — CID 6368519

IUPAC2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESCC(C)(C)c1ccc(CC(=O)N/N=C\c2cccs2)cc1
InChIInChI=1S/C17H20N2OS/c1-17(2,3)14-8-6-13(7-9-14)11-16(20)19-18-12-15-5-4-10-21-15/h4-10,12H,11H2,1-3H3,(H,19,20)/b18-12-
InChIKeyJIENGJDARDZJEC-PDGQHHTCSA-N
MW300.43 g/mol
LogP3.74
Rot. Bonds4

About 2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 6368519) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID6368519
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESCC(C)(C)c1ccc(CC(=O)N/N=C\c2cccs2)cc1
InChIInChI=1S/C17H20N2OS/c1-17(2,3)14-8-6-13(7-9-14)11-16(20)19-18-12-15-5-4-10-21-15/h4-10,12H,11H2,1-3H3,(H,19,20)/b18-12-
InChIKeyJIENGJDARDZJEC-PDGQHHTCSA-N
XLogP3.74
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 26871383
2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 15703243
2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 4922231
2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 126263054
N-[(Z)-thiophen-2-ylmethylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 6058187
N-[(E)-thiophen-2-ylmethylideneamino]octanamide
CID 6894116
3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
CID 5414238
N-(thiophen-2-ylmethylideneamino)undecanamide
CID 2164157
N-(thiophen-2-ylmethylideneamino)octadecanamide
CID 75087356
2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide
CID 3426300
2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5416726
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 681491

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (CID 6368519) is 2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is CC(C)(C)c1ccc(CC(=O)N/N=C\c2cccs2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is JIENGJDARDZJEC-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-17(2,3)14-8-6-13(7-9-14)11-16(20)19-18-12-15-5-4-10-21-15/h4-10,12H,11H2,1-3H3,(H,19,20)/b18-12-.
What are the key properties of 2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 300.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6368519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).