N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide

C17H17BrN2OS — CID 126135356

IUPACN-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)N/N=C\c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2OS/c1-13-2-8-16(9-3-13)22-11-10-17(21)20-19-12-14-4-6-15(18)7-5-14/h2-9,12H,10-11H2,1H3,(H,20,21)/b19-12-
InChIKeyQLLAATUXPGKAGS-UNOMPAQXSA-N
MW377.31 g/mol
LogP4.39
Rot. Bonds6

About N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide

N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 126135356) has the molecular formula C17H17BrN2OS and a molecular weight of 377.31 g/mol. Its IUPAC name is N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID126135356
Molecular FormulaC17H17BrN2OS
Molecular Weight377.31 g/mol
Exact Mass376.02
IUPAC NameN-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)N/N=C\c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2OS/c1-13-2-8-16(9-3-13)22-11-10-17(21)20-19-12-14-4-6-15(18)7-5-14/h2-9,12H,10-11H2,1H3,(H,20,21)/b19-12-
InChIKeyQLLAATUXPGKAGS-UNOMPAQXSA-N
XLogP4.39
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 54.39
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-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 762054
3-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 2531077
3-(4-methylphenyl)sulfanyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]propanamide
CID 126126523
N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 544368
N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126137795
3-(4-methylphenyl)sulfanyl-N-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]propanamide
CID 126122043
N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
CID 3539768
3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 126151317
2-[(Z)-[3-(4-methylphenyl)sulfanylpropanoylhydrazinylidene]methyl]benzoic acid
CID 126147425
N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126126416
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 5427428
N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 6005980

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide (CID 126135356) is N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)N/N=C\c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is QLLAATUXPGKAGS-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H17BrN2OS/c1-13-2-8-16(9-3-13)22-11-10-17(21)20-19-12-14-4-6-15(18)7-5-14/h2-9,12H,10-11H2,1H3,(H,20,21)/b19-12-.
What are the key properties of N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide?
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 377.31 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 126135356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).