N-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide

C21H19ClN2O3S — CID 126212286

IUPACN-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C\c1ccc(OCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H19ClN2O3S/c22-17-5-9-19(10-6-17)27-12-11-26-18-7-3-16(4-8-18)15-23-24-21(25)14-20-2-1-13-28-20/h1-10,13,15H,11-12,14H2,(H,24,25)/b23-15-
InChIKeyMDNLZNJWUWWYPT-HAHDFKILSA-N
MW414.91 g/mol
LogP4.55
Rot. Bonds9

About N-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide

N-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 126212286) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is N-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide
PubChem CID126212286
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC NameN-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C\c1ccc(OCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H19ClN2O3S/c22-17-5-9-19(10-6-17)27-12-11-26-18-7-3-16(4-8-18)15-23-24-21(25)14-20-2-1-13-28-20/h1-10,13,15H,11-12,14H2,(H,24,25)/b23-15-
InChIKeyMDNLZNJWUWWYPT-HAHDFKILSA-N
XLogP4.55
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126211026
N-[(4-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929721
N-(pyridin-4-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 697261
N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929739
N-[(Z)-[3-methoxy-4-(2-methoxyethoxy)phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126213621
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 805233
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5395244
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5425302
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135905133
N-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126209978
N-(pyridin-3-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 696915
2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190680

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide (CID 126212286) is N-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N/N=C\c1ccc(OCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is MDNLZNJWUWWYPT-HAHDFKILSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c22-17-5-9-19(10-6-17)27-12-11-26-18-7-3-16(4-8-18)15-23-24-21(25)14-20-2-1-13-28-20/h1-10,13,15H,11-12,14H2,(H,24,25)/b23-15-.
What are the key properties of N-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide?
N-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 414.91 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 126212286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).