(2R)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylpropanamide

C18H19BrN2OS — CID 126124192

IUPAC(2R)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
SMILESC/C(=N/NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1cccc(Br)c1
InChIInChI=1S/C18H19BrN2OS/c1-12-7-9-17(10-8-12)23-14(3)18(22)21-20-13(2)15-5-4-6-16(19)11-15/h4-11,14H,1-3H3,(H,21,22)/b20-13-/t14-/m1/s1
InChIKeyPGUNBEDYQJMLCR-KELUXRKGSA-N
MW391.33 g/mol
LogP4.78
Rot. Bonds5

About (2R)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylpropanamide

(2R)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 126124192) has the molecular formula C18H19BrN2OS and a molecular weight of 391.33 g/mol. Its IUPAC name is (2R)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID126124192
Molecular FormulaC18H19BrN2OS
Molecular Weight391.33 g/mol
Exact Mass390.04
IUPAC Name(2R)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
SMILESC/C(=N/NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1cccc(Br)c1
InChIInChI=1S/C18H19BrN2OS/c1-12-7-9-17(10-8-12)23-14(3)18(22)21-20-13(2)15-5-4-6-16(19)11-15/h4-11,14H,1-3H3,(H,21,22)/b20-13-/t14-/m1/s1
InChIKeyPGUNBEDYQJMLCR-KELUXRKGSA-N
XLogP4.78
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 54.78
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 (2R)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylpropanamide 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

3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
CID 3319660
2-(3-bromophenyl)sulfanylpropanehydrazide
CID 63579968
1-[(Z)-1-(3-bromophenyl)ethylideneamino]-3-(4-methylphenyl)thiourea
CID 6047430
tert-butyl N-[1-(3-bromophenyl)ethylideneamino]carbamate
CID 4239815
(2R)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-phenylsulfanylpropanamide
CID 6967321
N,N'-bis[1-(3-bromophenyl)ethylideneamino]pentanediamide
CID 4580556
3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide
CID 41141971
(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 126133104
(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 137065289
(2S)-N-[(Z)-(4-methylphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 126122182
(2S)-N-[(Z)-benzylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 126128248

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylpropanamide (CID 126124192) is (2R)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylpropanamide is C/C(=N/NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1cccc(Br)c1.
What is the InChIKey of (2R)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is PGUNBEDYQJMLCR-KELUXRKGSA-N. The full InChI is InChI=1S/C18H19BrN2OS/c1-12-7-9-17(10-8-12)23-14(3)18(22)21-20-13(2)15-5-4-6-16(19)11-15/h4-11,14H,1-3H3,(H,21,22)/b20-13-/t14-/m1/s1.
What are the key properties of (2R)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylpropanamide?
(2R)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 391.33 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 126124192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).