N'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide

C15H16N2O2S — CID 76938911

IUPACN'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide
SMILESCOc1ccccc1Sc1cc(C)ccc1C(N)=NO
InChIInChI=1S/C15H16N2O2S/c1-10-7-8-11(15(16)17-18)14(9-10)20-13-6-4-3-5-12(13)19-2/h3-9,18H,1-2H3,(H2,16,17)
InChIKeyJFOLPVAVWPNTMI-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.25
Rot. Bonds4

About N'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide

N'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide (PubChem CID 76938911) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide
PubChem CID76938911
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide
SMILESCOc1ccccc1Sc1cc(C)ccc1C(N)=NO
InChIInChI=1S/C15H16N2O2S/c1-10-7-8-11(15(16)17-18)14(9-10)20-13-6-4-3-5-12(13)19-2/h3-9,18H,1-2H3,(H2,16,17)
InChIKeyJFOLPVAVWPNTMI-UHFFFAOYSA-N
XLogP3.25
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

2-(2-bromophenyl)sulfanyl-N'-hydroxy-4-methylbenzenecarboximidamide
CID 55057163
2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 107279854
2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 76981642
2-(2-methoxy-5-methylphenyl)sulfanylaniline
CID 82118800
2-(2-bromophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938982
N'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide
CID 81277531
N'-hydroxy-4-methyl-2-(1,3-thiazol-2-ylsulfanyl)benzenecarboximidamide
CID 76938741
2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
CID 125466399
N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
CID 24704473
2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939029
4-methoxy-2-(2-methoxyphenyl)sulfanylbenzoic acid
CID 81309619
N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide
CID 43140206

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide (CID 76938911) is N'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide is COc1ccccc1Sc1cc(C)ccc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide?
The InChIKey is JFOLPVAVWPNTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-7-8-11(15(16)17-18)14(9-10)20-13-6-4-3-5-12(13)19-2/h3-9,18H,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide?
N'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide has a molecular weight of 288.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide is sourced from PubChem (CID 76938911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).