N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide

C28H21Cl2N3OS — CID 5075051

IUPACN-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide
SMILESO=C(CSc1cccc2ccccc12)NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C28H21Cl2N3OS/c29-22-13-12-20(25(30)14-22)16-33-17-21(23-8-3-4-10-26(23)33)15-31-32-28(34)18-35-27-11-5-7-19-6-1-2-9-24(19)27/h1-15,17H,16,18H2,(H,32,34)
InChIKeyMPRPLMPRIGIYCH-UHFFFAOYSA-N
MW518.47 g/mol
LogP7.39
Rot. Bonds7

About N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide

N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide (PubChem CID 5075051) has the molecular formula C28H21Cl2N3OS and a molecular weight of 518.47 g/mol. Its IUPAC name is N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide
PubChem CID5075051
Molecular FormulaC28H21Cl2N3OS
Molecular Weight518.47 g/mol
Exact Mass517.08
IUPAC NameN-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide
SMILESO=C(CSc1cccc2ccccc12)NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C28H21Cl2N3OS/c29-22-13-12-20(25(30)14-22)16-33-17-21(23-8-3-4-10-26(23)33)15-31-32-28(34)18-35-27-11-5-7-19-6-1-2-9-24(19)27/h1-15,17H,16,18H2,(H,32,34)
InChIKeyMPRPLMPRIGIYCH-UHFFFAOYSA-N
XLogP7.39
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.47
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide 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

2-(4-chlorophenyl)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126149478
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide
CID 126220780
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126365049
(2S)-2-cyano-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-phenylacetamide
CID 126210883
ethyl N-[(1S)-3-[(2Z)-2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-3-oxo-1-phenylpropyl]carbamate
CID 126003342
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126377852
1-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-nitroguanidine
CID 135495390
(3S)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 126010253
4-amino-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 1360529
N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 58523948
N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide
CID 17246263
3-[[3-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]indol-1-yl]methyl]benzoic acid
CID 126217163

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide?
The IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide (CID 5075051) is N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide.
What is the SMILES notation for N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide?
The canonical SMILES for N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide is O=C(CSc1cccc2ccccc12)NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide?
The InChIKey is MPRPLMPRIGIYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21Cl2N3OS/c29-22-13-12-20(25(30)14-22)16-33-17-21(23-8-3-4-10-26(23)33)15-31-32-28(34)18-35-27-11-5-7-19-6-1-2-9-24(19)27/h1-15,17H,16,18H2,(H,32,34).
What are the key properties of N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide?
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide has a molecular weight of 518.47 g/mol, XLogP of 7.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide is sourced from PubChem (CID 5075051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).