2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide

C20H18N2O2S — CID 6259909

IUPAC2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide
SMILESCc1ccsc1/C=N\NC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N2O2S/c1-15-12-13-25-18(15)14-21-22-19(23)20(24,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,24H,1H3,(H,22,23)/b21-14-
InChIKeyCFGKCBPIVPKVJO-STZFKDTASA-N
MW350.44 g/mol
LogP3.44
Rot. Bonds5

About 2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide

2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide (PubChem CID 6259909) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide
PubChem CID6259909
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide
SMILESCc1ccsc1/C=N\NC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18N2O2S/c1-15-12-13-25-18(15)14-21-22-19(23)20(24,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,24H,1H3,(H,22,23)/b21-14-
InChIKeyCFGKCBPIVPKVJO-STZFKDTASA-N
XLogP3.44
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.44
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

2-hydroxy-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135765568
N-[(3-methylthiophen-2-yl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 3750911
2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 136713953
2-hydroxy-N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 3317398
2-hydroxy-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135533066
2-hydroxy-N-[(E)-[(2E)-2-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]ethylidene]amino]-2,2-diphenylacetamide
CID 46495023
N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide
CID 6385345
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 136794022
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 41271343
3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 910531
(2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide
CID 94837836
N-[2-[(2E)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 43948582

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of 2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide (CID 6259909) is 2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for 2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide is Cc1ccsc1/C=N\NC(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide?
The InChIKey is CFGKCBPIVPKVJO-STZFKDTASA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-15-12-13-25-18(15)14-21-22-19(23)20(24,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,24H,1H3,(H,22,23)/b21-14-.
What are the key properties of 2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide?
2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide has a molecular weight of 350.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 6259909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).