N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide

C15H16BrN3OS — CID 21157533

IUPACN-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide
SMILESC/C(=N\NC(=O)CNc1cccc(C)c1)c1ccc(Br)s1
InChIInChI=1S/C15H16BrN3OS/c1-10-4-3-5-12(8-10)17-9-15(20)19-18-11(2)13-6-7-14(16)21-13/h3-8,17H,9H2,1-2H3,(H,19,20)/b18-11+
InChIKeyFNGRALDXWLETTI-WOJGMQOQSA-N
MW366.28 g/mol
LogP3.77
Rot. Bonds5

About N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide

N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide (PubChem CID 21157533) has the molecular formula C15H16BrN3OS and a molecular weight of 366.28 g/mol. Its IUPAC name is N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide
PubChem CID21157533
Molecular FormulaC15H16BrN3OS
Molecular Weight366.28 g/mol
Exact Mass365.02
IUPAC NameN-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide
SMILESC/C(=N\NC(=O)CNc1cccc(C)c1)c1ccc(Br)s1
InChIInChI=1S/C15H16BrN3OS/c1-10-4-3-5-12(8-10)17-9-15(20)19-18-11(2)13-6-7-14(16)21-13/h3-8,17H,9H2,1-2H3,(H,19,20)/b18-11+
InChIKeyFNGRALDXWLETTI-WOJGMQOQSA-N
XLogP3.77
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.77
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'}

Analyze N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-bromothiophen-2-yl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 1095079
2-(3-methylanilino)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
CID 6075641
2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide
CID 9143872
N-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide
CID 4120530
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide
CID 6299261
2-(3-bromoanilino)-N-[(Z)-[(2Z)-2-[[2-(3-bromoanilino)acetyl]hydrazinylidene]propylidene]amino]acetamide
CID 6415089
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6299285
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9025434
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316947
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxybenzamide
CID 5409813
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 5457542
(2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6345926

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide?
The IUPAC name of N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide (CID 21157533) is N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide.
What is the SMILES notation for N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide?
The canonical SMILES for N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide is C/C(=N\NC(=O)CNc1cccc(C)c1)c1ccc(Br)s1.
What is the InChIKey of N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide?
The InChIKey is FNGRALDXWLETTI-WOJGMQOQSA-N. The full InChI is InChI=1S/C15H16BrN3OS/c1-10-4-3-5-12(8-10)17-9-15(20)19-18-11(2)13-6-7-14(16)21-13/h3-8,17H,9H2,1-2H3,(H,19,20)/b18-11+.
What are the key properties of N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide?
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide has a molecular weight of 366.28 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide is sourced from PubChem (CID 21157533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).