2-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-phenylacetamide;hydrochloride

C16H17ClN2O2S — CID 163329108

IUPAC2-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-phenylacetamide;hydrochloride
SMILESCSc1ccc(/C=N/NC(=O)C(O)c2ccccc2)cc1.Cl
InChIInChI=1S/C16H16N2O2S.ClH/c1-21-14-9-7-12(8-10-14)11-17-18-16(20)15(19)13-5-3-2-4-6-13;/h2-11,15,19H,1H3,(H,18,20);1H/b17-11+;
InChIKeyOHFPCUZMBHVXRR-SJDTYFKWSA-N
MW336.84 g/mol
LogP3.01
Rot. Bonds5

About 2-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-phenylacetamide;hydrochloride

2-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-phenylacetamide;hydrochloride (PubChem CID 163329108) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-phenylacetamide;hydrochloride
PubChem CID163329108
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name2-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-phenylacetamide;hydrochloride
SMILESCSc1ccc(/C=N/NC(=O)C(O)c2ccccc2)cc1.Cl
InChIInChI=1S/C16H16N2O2S.ClH/c1-21-14-9-7-12(8-10-14)11-17-18-16(20)15(19)13-5-3-2-4-6-13;/h2-11,15,19H,1H3,(H,18,20);1H/b17-11+;
InChIKeyOHFPCUZMBHVXRR-SJDTYFKWSA-N
XLogP3.01
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(4-ethylphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 6087706
(2R)-2-hydroxy-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 40516770
(2R)-N-[[4-(diethylamino)phenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 828197
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 4618895
methyl 2-[4-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126267893
(2S)-2-hydroxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]-2-phenylacetamide
CID 51671415
1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea
CID 807471
(2R)-2-hydroxy-2-phenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 1368192
(2R)-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 136914839
(2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 905815
(2R)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 135674788
(2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide
CID 94849044

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-phenylacetamide;hydrochloride?
The IUPAC name of 2-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-phenylacetamide;hydrochloride (CID 163329108) is 2-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-phenylacetamide;hydrochloride?
The canonical SMILES for 2-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-phenylacetamide;hydrochloride is CSc1ccc(/C=N/NC(=O)C(O)c2ccccc2)cc1.Cl.
What is the InChIKey of 2-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-phenylacetamide;hydrochloride?
The InChIKey is OHFPCUZMBHVXRR-SJDTYFKWSA-N. The full InChI is InChI=1S/C16H16N2O2S.ClH/c1-21-14-9-7-12(8-10-14)11-17-18-16(20)15(19)13-5-3-2-4-6-13;/h2-11,15,19H,1H3,(H,18,20);1H/b17-11+;.
What are the key properties of 2-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-phenylacetamide;hydrochloride?
2-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-phenylacetamide;hydrochloride has a molecular weight of 336.84 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 163329108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).