N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide

C19H15BrN2O2S — CID 41271343

IUPACN-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(N/N=C\c1cc(Br)cs1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15BrN2O2S/c20-16-11-17(25-13-16)12-21-22-18(23)19(24,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,24H,(H,22,23)/b21-12-
InChIKeyFTSDKHLIOOSHAC-MTJSOVHGSA-N
MW415.31 g/mol
LogP3.90
Rot. Bonds5

About N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide

N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 41271343) has the molecular formula C19H15BrN2O2S and a molecular weight of 415.31 g/mol. Its IUPAC name is N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
PubChem CID41271343
Molecular FormulaC19H15BrN2O2S
Molecular Weight415.31 g/mol
Exact Mass414.00
IUPAC NameN-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(N/N=C\c1cc(Br)cs1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15BrN2O2S/c20-16-11-17(25-13-16)12-21-22-18(23)19(24,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,24H,(H,22,23)/b21-12-
InChIKeyFTSDKHLIOOSHAC-MTJSOVHGSA-N
XLogP3.90
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.31
LogP ≤ 53.90
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-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide
CID 6088161
2-hydroxy-N-[(E)-[(2E)-2-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]ethylidene]amino]-2,2-diphenylacetamide
CID 46495023
[(4-bromothiophen-2-yl)methylideneamino]urea
CID 759069
2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide
CID 6259909
N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 135781632
2-[(2E)-2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]benzoic acid
CID 45327660
1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 44507406
2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 1281852
N-[1-[(2Z)-2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide
CID 86771756
N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide
CID 42995239
2-hydroxy-2,2-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 3297687
2-hydroxy-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135765568

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide (CID 41271343) is N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is O=C(N/N=C\c1cc(Br)cs1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is FTSDKHLIOOSHAC-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H15BrN2O2S/c20-16-11-17(25-13-16)12-21-22-18(23)19(24,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,24H,(H,22,23)/b21-12-.
What are the key properties of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 415.31 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 41271343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).