(2R)-N-[(Z)-(2-hydroxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide

C19H20N2O3S — CID 137077971

IUPAC(2R)-N-[(Z)-(2-hydroxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide
SMILESC=CCOc1ccc(/C=N\NC(=O)[C@@H](C)Sc2ccccc2)c(O)c1
InChIInChI=1S/C19H20N2O3S/c1-3-11-24-16-10-9-15(18(22)12-16)13-20-21-19(23)14(2)25-17-7-5-4-6-8-17/h3-10,12-14,22H,1,11H2,2H3,(H,21,23)/b20-13-/t14-/m1/s1
InChIKeyANVZIKNDISFNQI-KELUXRKGSA-N
MW356.45 g/mol
LogP3.59
Rot. Bonds8

About (2R)-N-[(Z)-(2-hydroxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide

(2R)-N-[(Z)-(2-hydroxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide (PubChem CID 137077971) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is (2R)-N-[(Z)-(2-hydroxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-(2-hydroxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide
PubChem CID137077971
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name(2R)-N-[(Z)-(2-hydroxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide
SMILESC=CCOc1ccc(/C=N\NC(=O)[C@@H](C)Sc2ccccc2)c(O)c1
InChIInChI=1S/C19H20N2O3S/c1-3-11-24-16-10-9-15(18(22)12-16)13-20-21-19(23)14(2)25-17-7-5-4-6-8-17/h3-10,12-14,22H,1,11H2,2H3,(H,21,23)/b20-13-/t14-/m1/s1
InChIKeyANVZIKNDISFNQI-KELUXRKGSA-N
XLogP3.59
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-N-[(Z)-(2-hydroxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 137065289
2-(4-chlorophenyl)sulfanyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135473290
(2S)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide
CID 137077961
(2S)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylsulfanylpropanamide
CID 135619152
(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylsulfanylpropanamide
CID 136754632
N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2-phenoxyacetamide
CID 137074822
N-[(E)-(2-hydroxy-4-prop-2-enoxyphenyl)methylideneamino]-2-piperidin-1-ium-1-ylacetamide
CID 135619151
N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135590241
(2S)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylsulfanylpropanamide
CID 40529974
(2S)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 136705969
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 5079836
(2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide
CID 94837836

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-(2-hydroxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide?
The IUPAC name of (2R)-N-[(Z)-(2-hydroxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide (CID 137077971) is (2R)-N-[(Z)-(2-hydroxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(Z)-(2-hydroxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[(Z)-(2-hydroxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide is C=CCOc1ccc(/C=N\NC(=O)[C@@H](C)Sc2ccccc2)c(O)c1.
What is the InChIKey of (2R)-N-[(Z)-(2-hydroxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide?
The InChIKey is ANVZIKNDISFNQI-KELUXRKGSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-3-11-24-16-10-9-15(18(22)12-16)13-20-21-19(23)14(2)25-17-7-5-4-6-8-17/h3-10,12-14,22H,1,11H2,2H3,(H,21,23)/b20-13-/t14-/m1/s1.
What are the key properties of (2R)-N-[(Z)-(2-hydroxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide?
(2R)-N-[(Z)-(2-hydroxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide has a molecular weight of 356.45 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-(2-hydroxy-4-prop-2-enoxyphenyl)methylideneamino]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 137077971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).