N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide

C14H13BrN2OS — CID 5394131

IUPACN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N/N=C\c1ccc(Br)s1
InChIInChI=1S/C14H13BrN2OS/c15-13-8-7-12(19-13)10-16-17-14(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,17,18)/b16-10-
InChIKeyQVCKNFZWUKTDGF-YBEGLDIGSA-N
MW337.24 g/mol
LogP3.59
Rot. Bonds5

About N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide

N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide (PubChem CID 5394131) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide
PubChem CID5394131
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N/N=C\c1ccc(Br)s1
InChIInChI=1S/C14H13BrN2OS/c15-13-8-7-12(19-13)10-16-17-14(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,17,18)/b16-10-
InChIKeyQVCKNFZWUKTDGF-YBEGLDIGSA-N
XLogP3.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.59
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,N'-bis[(5-bromothiophen-2-yl)methylideneamino]hexanediamide
CID 5114030
N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-phenylpropanamide
CID 5418164
3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
CID 5414238
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide
CID 6167295
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 6163037
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide
CID 5375065
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8884016
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2,2-diphenylacetamide
CID 5432164
N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide
CID 5338610
N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide
CID 715930
3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 6138310
N-[(5-bromothiophen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 5185325

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide (CID 5394131) is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide is O=C(CCc1ccccc1)N/N=C\c1ccc(Br)s1.
What is the InChIKey of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide?
The InChIKey is QVCKNFZWUKTDGF-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c15-13-8-7-12(19-13)10-16-17-14(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,17,18)/b16-10-.
What are the key properties of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide?
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-phenylpropanamide has a molecular weight of 337.24 g/mol, XLogP of 3.59, 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]-3-phenylpropanamide is sourced from PubChem (CID 5394131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).