N-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide

C17H16BrClN2OS — CID 3306494

IUPACN-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
SMILESCC(=NNC(=O)CSCc1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C17H16BrClN2OS/c1-12(14-3-2-4-15(18)9-14)20-21-17(22)11-23-10-13-5-7-16(19)8-6-13/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyQHTFXFHXCHVNHX-UHFFFAOYSA-N
MW411.75 g/mol
LogP4.88
Rot. Bonds6

About N-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide

N-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide (PubChem CID 3306494) has the molecular formula C17H16BrClN2OS and a molecular weight of 411.75 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
PubChem CID3306494
Molecular FormulaC17H16BrClN2OS
Molecular Weight411.75 g/mol
Exact Mass409.99
IUPAC NameN-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
SMILESCC(=NNC(=O)CSCc1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C17H16BrClN2OS/c1-12(14-3-2-4-15(18)9-14)20-21-17(22)11-23-10-13-5-7-16(19)8-6-13/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyQHTFXFHXCHVNHX-UHFFFAOYSA-N
XLogP4.88
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.75
LogP ≤ 54.88
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'}

Analyze N-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]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-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 92663668
2-[(4-bromophenyl)methylsulfanyl]-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 4240241
N,N'-bis[1-(3-bromophenyl)ethylideneamino]pentanediamide
CID 4580556
N-[1-(3-bromophenyl)ethylideneamino]-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4220440
2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 94837778
N-[(E)-1-(3-iodophenyl)ethylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 46501689
N-[(E)-1-(3-bromophenyl)ethylideneamino]-2-(2,4,6-trichlorophenoxy)acetamide
CID 46501069
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 92652489
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide
CID 19685706
N-[1-(3-bromophenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3694594
N-[3-[N-[[2-(4-chlorophenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2-ethylbutanamide
CID 1004969

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide (CID 3306494) is N-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide is CC(=NNC(=O)CSCc1ccc(Cl)cc1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
The InChIKey is QHTFXFHXCHVNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2OS/c1-12(14-3-2-4-15(18)9-14)20-21-17(22)11-23-10-13-5-7-16(19)8-6-13/h2-9H,10-11H2,1H3,(H,21,22).
What are the key properties of N-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide?
N-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide has a molecular weight of 411.75 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 3306494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).