2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide

C16H15N3OS — CID 17080231

IUPAC2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cn1ccc2ccccc21)c1cccs1
InChIInChI=1S/C16H15N3OS/c1-12(15-7-4-10-21-15)17-18-16(20)11-19-9-8-13-5-2-3-6-14(13)19/h2-10H,11H2,1H3,(H,18,20)/b17-12+
InChIKeyVFZOGIOXLJXACB-SFQUDFHCSA-N
MW297.38 g/mol
LogP3.24
Rot. Bonds4

About 2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide

2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide (PubChem CID 17080231) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
PubChem CID17080231
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cn1ccc2ccccc21)c1cccs1
InChIInChI=1S/C16H15N3OS/c1-12(15-7-4-10-21-15)17-18-16(20)11-19-9-8-13-5-2-3-6-14(13)19/h2-10H,11H2,1H3,(H,18,20)/b17-12+
InChIKeyVFZOGIOXLJXACB-SFQUDFHCSA-N
XLogP3.24
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.24
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-indol-1-yl-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 4258982
2-indol-1-yl-N-(1-naphthalen-2-ylethylideneamino)acetamide
CID 3659889
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-indol-1-ylacetamide
CID 17080225
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide
CID 6284969
N-[1-(4-chlorophenyl)ethylideneamino]-2-indol-1-ylacetamide
CID 5150836
2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 781499
2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide
CID 7316808
2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 9258315
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
2-naphthalen-1-yloxy-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 5406666

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide?
The IUPAC name of 2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide (CID 17080231) is 2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide.
What is the SMILES notation for 2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide?
The canonical SMILES for 2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide is C/C(=N\NC(=O)Cn1ccc2ccccc21)c1cccs1.
What is the InChIKey of 2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide?
The InChIKey is VFZOGIOXLJXACB-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-12(15-7-4-10-21-15)17-18-16(20)11-19-9-8-13-5-2-3-6-14(13)19/h2-10H,11H2,1H3,(H,18,20)/b17-12+.
What are the key properties of 2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide?
2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide has a molecular weight of 297.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide is sourced from PubChem (CID 17080231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).