N'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide

C15H18N2O3S — CID 76905925

IUPACN'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide
SMILESNC(=NO)c1ccc(OCCOCCc2cccs2)cc1
InChIInChI=1S/C15H18N2O3S/c16-15(17-18)12-3-5-13(6-4-12)20-10-9-19-8-7-14-2-1-11-21-14/h1-6,11,18H,7-10H2,(H2,16,17)
InChIKeyMSCHBRJQAUGISG-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.48
Rot. Bonds8

About N'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide

N'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide (PubChem CID 76905925) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide
PubChem CID76905925
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide
SMILESNC(=NO)c1ccc(OCCOCCc2cccs2)cc1
InChIInChI=1S/C15H18N2O3S/c16-15(17-18)12-3-5-13(6-4-12)20-10-9-19-8-7-14-2-1-11-21-14/h1-6,11,18H,7-10H2,(H2,16,17)
InChIKeyMSCHBRJQAUGISG-UHFFFAOYSA-N
XLogP2.48
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(4-bromophenoxy)ethoxy]ethyl]thiophene
CID 54970997
N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 61301378
N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide
CID 109374870
N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine
CID 77005612
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
N'-hydroxy-4-[2-(3,3,3-trifluoropropoxy)ethoxy]benzenecarboximidamide
CID 82954695
N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide
CID 61299054
N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide
CID 76975002
N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
CID 61300990
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-4-[[4-(N'-hydroxycarbamimidoyl)phenoxy]methoxy]benzenecarboximidamide
CID 123536479
N'-hydroxy-4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]methoxy]benzenecarboximidamide
CID 89475792

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide (CID 76905925) is N'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide is NC(=NO)c1ccc(OCCOCCc2cccs2)cc1.
What is the InChIKey of N'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide?
The InChIKey is MSCHBRJQAUGISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c16-15(17-18)12-3-5-13(6-4-12)20-10-9-19-8-7-14-2-1-11-21-14/h1-6,11,18H,7-10H2,(H2,16,17).
What are the key properties of N'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide?
N'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide has a molecular weight of 306.39 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-(2-thiophen-2-ylethoxy)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 76905925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).