(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide

C17H18N2O2S — CID 137065289

IUPAC(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@H](C)C(=O)N/N=C\c2ccccc2O)cc1
InChIInChI=1S/C17H18N2O2S/c1-12-7-9-15(10-8-12)22-13(2)17(21)19-18-11-14-5-3-4-6-16(14)20/h3-11,13,20H,1-2H3,(H,19,21)/b18-11-/t13-/m1/s1
InChIKeyWJFZPABBIYTTCQ-NCUBORBFSA-N
MW314.41 g/mol
LogP3.33
Rot. Bonds5

About (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide

(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 137065289) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID137065289
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@H](C)C(=O)N/N=C\c2ccccc2O)cc1
InChIInChI=1S/C17H18N2O2S/c1-12-7-9-15(10-8-12)22-13(2)17(21)19-18-11-14-5-3-4-6-16(14)20/h3-11,13,20H,1-2H3,(H,19,21)/b18-11-/t13-/m1/s1
InChIKeyWJFZPABBIYTTCQ-NCUBORBFSA-N
XLogP3.33
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135473290
(2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide
CID 126147149
(2S)-N-[(Z)-benzylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 126128248
(2S)-N-[(Z)-(4-methylphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 126122182
(2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide
CID 126127045
(2R)-N-[(Z)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-2-phenylsulfanylpropanamide
CID 94838542
(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135688184
(2S)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylsulfanylpropanamide
CID 135619152
[4-[(Z)-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]hydrazinylidene]methyl]phenyl] acetate
CID 126124421
(2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide
CID 94837836
(2S)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide
CID 137077961
(2R)-N-[(Z)-(2-hydroxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide
CID 137077971

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide (CID 137065289) is (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(S[C@H](C)C(=O)N/N=C\c2ccccc2O)cc1.
What is the InChIKey of (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is WJFZPABBIYTTCQ-NCUBORBFSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-12-7-9-15(10-8-12)22-13(2)17(21)19-18-11-14-5-3-4-6-16(14)20/h3-11,13,20H,1-2H3,(H,19,21)/b18-11-/t13-/m1/s1.
What are the key properties of (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide?
(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 314.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 137065289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).