N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide

C16H15BrN2OS — CID 6005980

IUPACN-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)N/N=C\c1cccc(Br)c1
InChIInChI=1S/C16H15BrN2OS/c17-14-6-4-5-13(11-14)12-18-19-16(20)9-10-21-15-7-2-1-3-8-15/h1-8,11-12H,9-10H2,(H,19,20)/b18-12-
InChIKeyPXDVAWSRAYJBIW-PDGQHHTCSA-N
MW363.28 g/mol
LogP4.08
Rot. Bonds6

About N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide

N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide (PubChem CID 6005980) has the molecular formula C16H15BrN2OS and a molecular weight of 363.28 g/mol. Its IUPAC name is N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide
PubChem CID6005980
Molecular FormulaC16H15BrN2OS
Molecular Weight363.28 g/mol
Exact Mass362.01
IUPAC NameN-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)N/N=C\c1cccc(Br)c1
InChIInChI=1S/C16H15BrN2OS/c17-14-6-4-5-13(11-14)12-18-19-16(20)9-10-21-15-7-2-1-3-8-15/h1-8,11-12H,9-10H2,(H,19,20)/b18-12-
InChIKeyPXDVAWSRAYJBIW-PDGQHHTCSA-N
XLogP4.08
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 54.08
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[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
(4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide
CID 40650959
N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 762054
4-anilino-N-[(E)-(3-bromophenyl)methylideneamino]butanamide
CID 5331391
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 5047472
N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
CID 5334797
N-[(Z)-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-phenylsulfanylpropanamide
CID 92851081
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide
CID 6056765
N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 5190370
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
N-(4-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 3309174

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide (CID 6005980) is N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)N/N=C\c1cccc(Br)c1.
What is the InChIKey of N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide?
The InChIKey is PXDVAWSRAYJBIW-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H15BrN2OS/c17-14-6-4-5-13(11-14)12-18-19-16(20)9-10-21-15-7-2-1-3-8-15/h1-8,11-12H,9-10H2,(H,19,20)/b18-12-.
What are the key properties of N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide?
N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide has a molecular weight of 363.28 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 6005980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).