N-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide

C20H18N2O2S — CID 4932924

IUPACN-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide
SMILESCc1ccc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)s1
InChIInChI=1S/C20H18N2O2S/c1-15-7-12-19(25-15)13-21-22-20(23)17-8-10-18(11-9-17)24-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,23)
InChIKeyYYLKAPGVIBARQJ-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.40
Rot. Bonds6

About N-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide

N-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide (PubChem CID 4932924) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide
PubChem CID4932924
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide
SMILESCc1ccc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)s1
InChIInChI=1S/C20H18N2O2S/c1-15-7-12-19(25-15)13-21-22-20(23)17-8-10-18(11-9-17)24-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,23)
InChIKeyYYLKAPGVIBARQJ-UHFFFAOYSA-N
XLogP4.40
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.40
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-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide 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

N-[(2-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932964
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418148
N-[(3-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932966
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5416541
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 4932922
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 6234024
[4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6047940

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide (CID 4932924) is N-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide is Cc1ccc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide?
The InChIKey is YYLKAPGVIBARQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-15-7-12-19(25-15)13-21-22-20(23)17-8-10-18(11-9-17)24-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,23).
What are the key properties of N-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide?
N-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide has a molecular weight of 350.44 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methylideneamino]-4-phenylmethoxybenzamide is sourced from PubChem (CID 4932924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).