N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide

C16H15N3OS — CID 5342196

IUPACN-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESCCc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)s1
InChIInChI=1S/C16H15N3OS/c1-2-11-7-8-12(21-11)9-18-19-16(20)14-10-17-15-6-4-3-5-13(14)15/h3-10,17H,2H2,1H3,(H,19,20)/b18-9+
InChIKeyJDNPMSMNSNOWTL-GIJQJNRQSA-N
MW297.38 g/mol
LogP3.56
Rot. Bonds4

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

N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 5342196) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID5342196
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESCCc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)s1
InChIInChI=1S/C16H15N3OS/c1-2-11-7-8-12(21-11)9-18-19-16(20)14-10-17-15-6-4-3-5-13(14)15/h3-10,17H,2H2,1H3,(H,19,20)/b18-9+
InChIKeyJDNPMSMNSNOWTL-GIJQJNRQSA-N
XLogP3.56
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.56
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)-(5-ethylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide (CID 5342196) is N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide is CCc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)s1.
What is the InChIKey of N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is JDNPMSMNSNOWTL-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-2-11-7-8-12(21-11)9-18-19-16(20)14-10-17-15-6-4-3-5-13(14)15/h3-10,17H,2H2,1H3,(H,19,20)/b18-9+.
What are the key properties of N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-ethylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 5342196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).