2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide

C15H15BrN2OS — CID 25237592

IUPAC2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide
SMILESCC/C(=N\NC(=O)Cc1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C15H15BrN2OS/c1-2-13(14-4-3-9-20-14)17-18-15(19)10-11-5-7-12(16)8-6-11/h3-9H,2,10H2,1H3,(H,18,19)/b17-13+
InChIKeyAMJUMPKFBJXMEJ-GHRIWEEISA-N
MW351.27 g/mol
LogP3.98
Rot. Bonds5

About 2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide

2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide (PubChem CID 25237592) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide
PubChem CID25237592
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide
SMILESCC/C(=N\NC(=O)Cc1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C15H15BrN2OS/c1-2-13(14-4-3-9-20-14)17-18-15(19)10-11-5-7-12(16)8-6-11/h3-9H,2,10H2,1H3,(H,18,19)/b17-13+
InChIKeyAMJUMPKFBJXMEJ-GHRIWEEISA-N
XLogP3.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.98
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

methyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
CID 8972617
2-(4-bromophenyl)-1-thiophen-2-ylethanone
CID 12751639
2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
2-(4-tert-butylphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 126263054
tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
CID 8972522
6-bromo-3-chloro-N-[(Z)-1-thiophen-2-ylpropylideneamino]-1-benzothiophene-2-carboxamide
CID 6029011
4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide
CID 9070522
4-bromo-N-[(E)-1-thiophen-2-ylpropylideneamino]-1H-pyrazole-5-carboxamide
CID 40648504
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-thiophen-2-ylpropylideneamino]acetamide
CID 9031058
2-(5-oxo-1,2-dihydropyrazol-3-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 6338643
2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide
CID 27524437

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide (CID 25237592) is 2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide is CC/C(=N\NC(=O)Cc1ccc(Br)cc1)c1cccs1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide?
The InChIKey is AMJUMPKFBJXMEJ-GHRIWEEISA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-2-13(14-4-3-9-20-14)17-18-15(19)10-11-5-7-12(16)8-6-11/h3-9H,2,10H2,1H3,(H,18,19)/b17-13+.
What are the key properties of 2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide?
2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide has a molecular weight of 351.27 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(E)-1-thiophen-2-ylpropylideneamino]acetamide is sourced from PubChem (CID 25237592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).