N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide

C14H16N2O3S — CID 76975002

IUPACN'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide
SMILESCOc1cc(C(N)=NO)ccc1OCCc1cccs1
InChIInChI=1S/C14H16N2O3S/c1-18-13-9-10(14(15)16-17)4-5-12(13)19-7-6-11-3-2-8-20-11/h2-5,8-9,17H,6-7H2,1H3,(H2,15,16)
InChIKeySEBHWGZUUPYXRE-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.47
Rot. Bonds6

About N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide

N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide (PubChem CID 76975002) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide
PubChem CID76975002
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide
SMILESCOc1cc(C(N)=NO)ccc1OCCc1cccs1
InChIInChI=1S/C14H16N2O3S/c1-18-13-9-10(14(15)16-17)4-5-12(13)19-7-6-11-3-2-8-20-11/h2-5,8-9,17H,6-7H2,1H3,(H2,15,16)
InChIKeySEBHWGZUUPYXRE-UHFFFAOYSA-N
XLogP2.47
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide (CID 76975002) is N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide is COc1cc(C(N)=NO)ccc1OCCc1cccs1.
What is the InChIKey of N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide?
The InChIKey is SEBHWGZUUPYXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-18-13-9-10(14(15)16-17)4-5-12(13)19-7-6-11-3-2-8-20-11/h2-5,8-9,17H,6-7H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide?
N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide has a molecular weight of 292.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide is sourced from PubChem (CID 76975002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).