N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide

C17H17N3O3S — CID 135577019

IUPACN-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide
SMILESCCOCCn1c(O)c(/N=N/C(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C17H17N3O3S/c1-2-23-10-9-20-13-7-4-3-6-12(13)15(17(20)22)18-19-16(21)14-8-5-11-24-14/h3-8,11,22H,2,9-10H2,1H3/b19-18+
InChIKeyFXZMNDWZCCZNDO-VHEBQXMUSA-N
MW343.41 g/mol
LogP4.37
Rot. Bonds6

About N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide

N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide (PubChem CID 135577019) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide
PubChem CID135577019
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide
SMILESCCOCCn1c(O)c(/N=N/C(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C17H17N3O3S/c1-2-23-10-9-20-13-7-4-3-6-12(13)15(17(20)22)18-19-16(21)14-8-5-11-24-14/h3-8,11,22H,2,9-10H2,1H3/b19-18+
InChIKeyFXZMNDWZCCZNDO-VHEBQXMUSA-N
XLogP4.37
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide
CID 135426572
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide
CID 135710555
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-(2-oxo-1-pyridinyl)acetamide
CID 135702543
2-(3,5-dimethylphenoxy)-N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminoacetamide
CID 135674746
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
2-[[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]diazenyl]-4-methyl-1H-pyrimidin-6-one
CID 135824238
N-[2-hydroxy-1-[[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]indol-3-yl]iminothiophene-2-carboxamide
CID 136743728
4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 135577272
methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
CID 2692604
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
N-[5-bromo-1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide
CID 4640009
[9-(2-ethoxyethyl)-6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]carbazol-3-yl]-thiophen-2-ylmethanone
CID 118109530

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide?
The IUPAC name of N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide (CID 135577019) is N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide is CCOCCn1c(O)c(/N=N/C(=O)c2cccs2)c2ccccc21.
What is the InChIKey of N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide?
The InChIKey is FXZMNDWZCCZNDO-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-2-23-10-9-20-13-7-4-3-6-12(13)15(17(20)22)18-19-16(21)14-8-5-11-24-14/h3-8,11,22H,2,9-10H2,1H3/b19-18+.
What are the key properties of N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide?
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminothiophene-2-carboxamide is sourced from PubChem (CID 135577019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).