N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide

C19H15BrN2OS — CID 5432164

IUPACN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C\c1ccc(Br)s1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15BrN2OS/c20-17-12-11-16(24-17)13-21-22-19(23)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18H,(H,22,23)/b21-13-
InChIKeyJWRALBLYSOYQNN-BKUYFWCQSA-N
MW399.31 g/mol
LogP4.79
Rot. Bonds5

About N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide

N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide (PubChem CID 5432164) has the molecular formula C19H15BrN2OS and a molecular weight of 399.31 g/mol. Its IUPAC name is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide
PubChem CID5432164
Molecular FormulaC19H15BrN2OS
Molecular Weight399.31 g/mol
Exact Mass398.01
IUPAC NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C\c1ccc(Br)s1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15BrN2OS/c20-17-12-11-16(24-17)13-21-22-19(23)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18H,(H,22,23)/b21-13-
InChIKeyJWRALBLYSOYQNN-BKUYFWCQSA-N
XLogP4.79
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.31
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide
CID 3462678
N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide
CID 715930
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide
CID 5394131
N,N'-bis[(5-bromothiophen-2-yl)methylideneamino]hexanediamide
CID 5114030
N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 126396553
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8884016
N-[(5-bromothiophen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 5185325
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide
CID 5375065
tert-butyl N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]carbamate
CID 6391739
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
CID 5404552
N-[(E)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
CID 6869053
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2,2-diphenylacetamide
CID 4980565

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide (CID 5432164) is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide is O=C(N/N=C\c1ccc(Br)s1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide?
The InChIKey is JWRALBLYSOYQNN-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H15BrN2OS/c20-17-12-11-16(24-17)13-21-22-19(23)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18H,(H,22,23)/b21-13-.
What are the key properties of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide?
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide has a molecular weight of 399.31 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 5432164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).