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

C21H26N2O3S — CID 126137795

IUPACN-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCCOc1ccc(/C=N\NC(=O)CCSc2ccc(C)cc2)cc1OCC
InChIInChI=1S/C21H26N2O3S/c1-4-25-19-11-8-17(14-20(19)26-5-2)15-22-23-21(24)12-13-27-18-9-6-16(3)7-10-18/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,23,24)/b22-15-
InChIKeyIPGKNYRFSMVEFA-JCMHNJIXSA-N
MW386.52 g/mol
LogP4.42
Rot. Bonds10

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

N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 126137795) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID126137795
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCCOc1ccc(/C=N\NC(=O)CCSc2ccc(C)cc2)cc1OCC
InChIInChI=1S/C21H26N2O3S/c1-4-25-19-11-8-17(14-20(19)26-5-2)15-22-23-21(24)12-13-27-18-9-6-16(3)7-10-18/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,23,24)/b22-15-
InChIKeyIPGKNYRFSMVEFA-JCMHNJIXSA-N
XLogP4.42
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.42
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'}

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Related Compounds

N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 5429358
N-[(Z)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126136682
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 19208840
N'-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 3961761
N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126126416
N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 5126791
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126135356
N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 762054
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005
3-(4-methylphenyl)sulfanyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]propanamide
CID 126126523
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 5047472
3-(4-chlorophenyl)sulfanyl-N-[(E)-(3-methoxy-4-methylphenyl)methylideneamino]propanamide
CID 6321970

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide (CID 126137795) is N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide is CCOc1ccc(/C=N\NC(=O)CCSc2ccc(C)cc2)cc1OCC.
What is the InChIKey of N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is IPGKNYRFSMVEFA-JCMHNJIXSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-4-25-19-11-8-17(14-20(19)26-5-2)15-22-23-21(24)12-13-27-18-9-6-16(3)7-10-18/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,23,24)/b22-15-.
What are the key properties of N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide?
N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 386.52 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 126137795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).