2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide

C20H23ClN2O2S — CID 110525171

IUPAC2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccc(/C=N\NC(=O)Cc2cc(Cl)ccc2SCC)cc1
InChIInChI=1S/C20H23ClN2O2S/c1-3-11-25-18-8-5-15(6-9-18)14-22-23-20(24)13-16-12-17(21)7-10-19(16)26-4-2/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,23,24)/b22-14-
InChIKeyYQBOPNLWXNQLDM-HMAPJEAMSA-N
MW390.94 g/mol
LogP4.93
Rot. Bonds9

About 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide

2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide (PubChem CID 110525171) has the molecular formula C20H23ClN2O2S and a molecular weight of 390.94 g/mol. Its IUPAC name is 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
PubChem CID110525171
Molecular FormulaC20H23ClN2O2S
Molecular Weight390.94 g/mol
Exact Mass390.12
IUPAC Name2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccc(/C=N\NC(=O)Cc2cc(Cl)ccc2SCC)cc1
InChIInChI=1S/C20H23ClN2O2S/c1-3-11-25-18-8-5-15(6-9-18)14-22-23-20(24)13-16-12-17(21)7-10-19(16)26-4-2/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,23,24)/b22-14-
InChIKeyYQBOPNLWXNQLDM-HMAPJEAMSA-N
XLogP4.93
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 54.93
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)-(3-butoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide
CID 110525229
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 110525270
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 136874809
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 136874791
N-[(2,4-dichlorophenyl)methyl]-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 6256500
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 110525257
N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-(5-chloro-2-methylsulfanylphenyl)acetamide
CID 110525349
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 110525209
[4-[(Z)-[[2-(5-chloro-2-methylsulfanylphenyl)acetyl]hydrazinylidene]methyl]phenyl] 4-fluorobenzoate
CID 110525385
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 110525442
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 110525431
2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190680

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide (CID 110525171) is 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide is CCCOc1ccc(/C=N\NC(=O)Cc2cc(Cl)ccc2SCC)cc1.
What is the InChIKey of 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide?
The InChIKey is YQBOPNLWXNQLDM-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H23ClN2O2S/c1-3-11-25-18-8-5-15(6-9-18)14-22-23-20(24)13-16-12-17(21)7-10-19(16)26-4-2/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,23,24)/b22-14-.
What are the key properties of 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide?
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide has a molecular weight of 390.94 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 110525171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).