N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide

C20H17ClN2O2S — CID 126211026

IUPACN-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17ClN2O2S/c21-17-7-3-16(4-8-17)14-25-18-9-5-15(6-10-18)13-22-23-20(24)12-19-2-1-11-26-19/h1-11,13H,12,14H2,(H,23,24)/b22-13-
InChIKeyKVQLHZOUBYNBFF-XKZIYDEJSA-N
MW384.89 g/mol
LogP4.67
Rot. Bonds7

About N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide

N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 126211026) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide
PubChem CID126211026
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC NameN-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17ClN2O2S/c21-17-7-3-16(4-8-17)14-25-18-9-5-15(6-10-18)13-22-23-20(24)12-19-2-1-11-26-19/h1-11,13H,12,14H2,(H,23,24)/b22-13-
InChIKeyKVQLHZOUBYNBFF-XKZIYDEJSA-N
XLogP4.67
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.67
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'}

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Related Compounds

N-[(Z)-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126212286
N-[(4-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929721
N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929739
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 21370508
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6149713
2-(4-bromophenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 45054335
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963
N-(pyridin-4-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 697261
4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 42992148
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126204429
N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-thiophen-2-ylacetamide
CID 126212779
2-(4-chloroanilino)-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126368921

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide (CID 126211026) is N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is KVQLHZOUBYNBFF-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c21-17-7-3-16(4-8-17)14-25-18-9-5-15(6-10-18)13-22-23-20(24)12-19-2-1-11-26-19/h1-11,13H,12,14H2,(H,23,24)/b22-13-.
What are the key properties of N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide?
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 384.89 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 126211026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).