3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide

C18H22N2O3S — CID 9154377

IUPAC3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C(/C)c2ccc(C)s2)cc1OC
InChIInChI=1S/C18H22N2O3S/c1-5-10-23-15-8-7-14(11-16(15)22-4)18(21)20-19-13(3)17-9-6-12(2)24-17/h6-9,11H,5,10H2,1-4H3,(H,20,21)/b19-13-
InChIKeyJTFQCNDZVVRTAN-UYRXBGFRSA-N
MW346.45 g/mol
LogP4.01
Rot. Bonds7

About 3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide

3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide (PubChem CID 9154377) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide
PubChem CID9154377
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C(/C)c2ccc(C)s2)cc1OC
InChIInChI=1S/C18H22N2O3S/c1-5-10-23-15-8-7-14(11-16(15)22-4)18(21)20-19-13(3)17-9-6-12(2)24-17/h6-9,11H,5,10H2,1-4H3,(H,20,21)/b19-13-
InChIKeyJTFQCNDZVVRTAN-UYRXBGFRSA-N
XLogP4.01
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.01
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 3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide 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-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 4232826
3,4-dimethoxy-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6311607
4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 6152424
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide
CID 4681796
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197
N-(3,5-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2683270
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 3627864
N-[1-(5-bromothiophen-2-yl)ethylideneamino]-3,4,5-trimethoxybenzamide
CID 3537672
4-(4-chloro-2-methylphenoxy)-N-[1-(5-methylthiophen-2-yl)ethylideneamino]butanamide
CID 4279767
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide
CID 25443168
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide?
The IUPAC name of 3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide (CID 9154377) is 3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide.
What is the SMILES notation for 3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide?
The canonical SMILES for 3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C(/C)c2ccc(C)s2)cc1OC.
What is the InChIKey of 3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide?
The InChIKey is JTFQCNDZVVRTAN-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-5-10-23-15-8-7-14(11-16(15)22-4)18(21)20-19-13(3)17-9-6-12(2)24-17/h6-9,11H,5,10H2,1-4H3,(H,20,21)/b19-13-.
What are the key properties of 3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide?
3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide has a molecular weight of 346.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 9154377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).