N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]-1H-indole-3-carboxamide

C16H15N3OS — CID 5336353

IUPACN-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]-1H-indole-3-carboxamide
SMILESC/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(C)s1
InChIInChI=1S/C16H15N3OS/c1-10-7-8-15(21-10)11(2)18-19-16(20)13-9-17-14-6-4-3-5-12(13)14/h3-9,17H,1-2H3,(H,19,20)/b18-11+
InChIKeyPHWWJGGCZGGIMG-WOJGMQOQSA-N
MW297.38 g/mol
LogP3.69
Rot. Bonds3

About N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]-1H-indole-3-carboxamide

N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]-1H-indole-3-carboxamide (PubChem CID 5336353) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]-1H-indole-3-carboxamide
PubChem CID5336353
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]-1H-indole-3-carboxamide
SMILESC/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(C)s1
InChIInChI=1S/C16H15N3OS/c1-10-7-8-15(21-10)11(2)18-19-16(20)13-9-17-14-6-4-3-5-12(13)14/h3-9,17H,1-2H3,(H,19,20)/b18-11+
InChIKeyPHWWJGGCZGGIMG-WOJGMQOQSA-N
XLogP3.69
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]-1H-indole-3-carboxamide (CID 5336353) is N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]-1H-indole-3-carboxamide is C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(C)s1.
What is the InChIKey of N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]-1H-indole-3-carboxamide?
The InChIKey is PHWWJGGCZGGIMG-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-7-8-15(21-10)11(2)18-19-16(20)13-9-17-14-6-4-3-5-12(13)14/h3-9,17H,1-2H3,(H,19,20)/b18-11+.
What are the key properties of N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]-1H-indole-3-carboxamide?
N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]-1H-indole-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 5336353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).