N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide

C18H20ClN3O3S — CID 3841241

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
SMILESCC(=NOCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccs1
InChIInChI=1S/C18H20ClN3O3S/c1-13(17-3-2-10-26-17)21-25-12-18(23)20-14-4-5-16(15(19)11-14)22-6-8-24-9-7-22/h2-5,10-11H,6-9,12H2,1H3,(H,20,23)
InChIKeyBYERXLBPSPIAFV-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.62
Rot. Bonds6

About N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide

N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide (PubChem CID 3841241) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
PubChem CID3841241
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
SMILESCC(=NOCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccs1
InChIInChI=1S/C18H20ClN3O3S/c1-13(17-3-2-10-26-17)21-25-12-18(23)20-14-4-5-16(15(19)11-14)22-6-8-24-9-7-22/h2-5,10-11H,6-9,12H2,1H3,(H,20,23)
InChIKeyBYERXLBPSPIAFV-UHFFFAOYSA-N
XLogP3.62
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-(4-methylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410197
N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5452515
N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
CID 960696
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 1114490
N-(2,6-diethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827833
N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410038
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2981140
2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide
CID 19631195
N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 17118121
N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide
CID 2214575
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 969199
2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid
CID 783853

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide (CID 3841241) is N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide is CC(=NOCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccs1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
The InChIKey is BYERXLBPSPIAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-13(17-3-2-10-26-17)21-25-12-18(23)20-14-4-5-16(15(19)11-14)22-6-8-24-9-7-22/h2-5,10-11H,6-9,12H2,1H3,(H,20,23).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide has a molecular weight of 393.90 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide is sourced from PubChem (CID 3841241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).