N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide

C18H13N3OS — CID 135647349

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1csc2ccccc12
InChIInChI=1S/C18H13N3OS/c22-18(15-11-23-17-8-4-2-6-14(15)17)21-20-10-12-9-19-16-7-3-1-5-13(12)16/h1-11,19H,(H,21,22)/b20-10+
InChIKeyUYMVNENKCSFICT-KEBDBYFISA-N
MW319.39 g/mol
LogP4.15
Rot. Bonds3

About N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide

N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide (PubChem CID 135647349) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide
PubChem CID135647349
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1csc2ccccc12
InChIInChI=1S/C18H13N3OS/c22-18(15-11-23-17-8-4-2-6-14(15)17)21-20-10-12-9-19-16-7-3-1-5-13(12)16/h1-11,19H,(H,21,22)/b20-10+
InChIKeyUYMVNENKCSFICT-KEBDBYFISA-N
XLogP4.15
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.15
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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Related Compounds

N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135683096
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 135606906
2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135479703
5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
CID 135782076
N-(1H-indol-3-ylmethylideneamino)-5-propan-2-ylthiophene-3-carboxamide
CID 4190565
2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136663043
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043
N-[(E)-1H-indol-3-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135497938
5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136711415
1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
CID 137212579

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide (CID 135647349) is N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1csc2ccccc12.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide?
The InChIKey is UYMVNENKCSFICT-KEBDBYFISA-N. The full InChI is InChI=1S/C18H13N3OS/c22-18(15-11-23-17-8-4-2-6-14(15)17)21-20-10-12-9-19-16-7-3-1-5-13(12)16/h1-11,19H,(H,21,22)/b20-10+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 135647349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).