N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide

C21H26N2O3S — CID 6525597

IUPACN-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCC/C(=N/NC(=O)CSCc1ccccc1C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H26N2O3S/c1-5-18(16-10-11-19(25-3)20(12-16)26-4)22-23-21(24)14-27-13-17-9-7-6-8-15(17)2/h6-12H,5,13-14H2,1-4H3,(H,23,24)/b22-18-
InChIKeyJOYWCLCDBLFKSS-PYCFMQQDSA-N
MW386.52 g/mol
LogP4.18
Rot. Bonds9

About N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 6525597) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID6525597
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCC/C(=N/NC(=O)CSCc1ccccc1C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H26N2O3S/c1-5-18(16-10-11-19(25-3)20(12-16)26-4)22-23-21(24)14-27-13-17-9-7-6-8-15(17)2/h6-12H,5,13-14H2,1-4H3,(H,23,24)/b22-18-
InChIKeyJOYWCLCDBLFKSS-PYCFMQQDSA-N
XLogP4.18
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.18
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)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063
2-(4-bromophenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
CID 6534157
[1-(3,4-dimethoxyphenyl)propylideneamino]thiourea
CID 915555
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 78815223
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiourea
CID 17372966
N-[1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 4845784
3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide
CID 3988968
N-[1-(3,4-dimethoxyphenyl)propylideneamino]pyridin-2-amine
CID 4831615
N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide
CID 4168885
N-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 5393530
4-[(E)-N-[[2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]amino]-C-ethylcarbonimidoyl]phenolate
CID 6038578
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 3110497

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 6525597) is N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide is CC/C(=N/NC(=O)CSCc1ccccc1C)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is JOYWCLCDBLFKSS-PYCFMQQDSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-5-18(16-10-11-19(25-3)20(12-16)26-4)22-23-21(24)14-27-13-17-9-7-6-8-15(17)2/h6-12H,5,13-14H2,1-4H3,(H,23,24)/b22-18-.
What are the key properties of N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 386.52 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 6525597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).