N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide

C14H13BrN2OS — CID 6306205

IUPACN-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide
SMILESC/C(=N/NC(=O)c1ccc(C)cc1)c1ccc(Br)s1
InChIInChI=1S/C14H13BrN2OS/c1-9-3-5-11(6-4-9)14(18)17-16-10(2)12-7-8-13(15)19-12/h3-8H,1-2H3,(H,17,18)/b16-10-
InChIKeyFCWTWHOEUAKPNR-YBEGLDIGSA-N
MW337.24 g/mol
LogP3.97
Rot. Bonds3

About N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide

N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide (PubChem CID 6306205) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide
PubChem CID6306205
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC NameN-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide
SMILESC/C(=N/NC(=O)c1ccc(C)cc1)c1ccc(Br)s1
InChIInChI=1S/C14H13BrN2OS/c1-9-3-5-11(6-4-9)14(18)17-16-10(2)12-7-8-13(15)19-12/h3-8H,1-2H3,(H,17,18)/b16-10-
InChIKeyFCWTWHOEUAKPNR-YBEGLDIGSA-N
XLogP3.97
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.97
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

4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 4232826
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-cyclopentyloxybenzamide
CID 5455250
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6299285
N-[1-(5-bromothiophen-2-yl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 3537672
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxybenzamide
CID 5409813
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9025434
4-bromo-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 8982536
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 6152424
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
CID 5407788
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide
CID 4284947
(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-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide (CID 6306205) is N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide is C/C(=N/NC(=O)c1ccc(C)cc1)c1ccc(Br)s1.
What is the InChIKey of N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide?
The InChIKey is FCWTWHOEUAKPNR-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c1-9-3-5-11(6-4-9)14(18)17-16-10(2)12-7-8-13(15)19-12/h3-8H,1-2H3,(H,17,18)/b16-10-.
What are the key properties of N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide?
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide has a molecular weight of 337.24 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide is sourced from PubChem (CID 6306205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).