N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide

C18H20N2O3S — CID 5047472

IUPACN-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide
SMILESCOc1ccc(C=NNC(=O)CCSc2ccccc2)cc1OC
InChIInChI=1S/C18H20N2O3S/c1-22-16-9-8-14(12-17(16)23-2)13-19-20-18(21)10-11-24-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)
InChIKeyBPSKDLSVNXXNJM-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.34
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide

N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide (PubChem CID 5047472) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide
PubChem CID5047472
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide
SMILESCOc1ccc(C=NNC(=O)CCSc2ccccc2)cc1OC
InChIInChI=1S/C18H20N2O3S/c1-22-16-9-8-14(12-17(16)23-2)13-19-20-18(21)10-11-24-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,20,21)
InChIKeyBPSKDLSVNXXNJM-UHFFFAOYSA-N
XLogP3.34
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide 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

[4-[(Z)-[3-(4-chlorophenyl)sulfanylpropanoylhydrazinylidene]methyl]-2-methoxyphenyl] methyl carbonate
CID 6078379
3-(4-chlorophenyl)sulfanyl-N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]propanamide
CID 6321970
N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 762054
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pentanamide
CID 5381106
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 44506453
N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 6005980
N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126126416
N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126137795
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005
N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4234039
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 68551605

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide (CID 5047472) is N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide is COc1ccc(C=NNC(=O)CCSc2ccccc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide?
The InChIKey is BPSKDLSVNXXNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-22-16-9-8-14(12-17(16)23-2)13-19-20-18(21)10-11-24-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide?
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide has a molecular weight of 344.44 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 5047472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).