2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]acetamide

C19H21ClN2O3S — CID 110525403

IUPAC2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]acetamide
SMILESCCOc1cccc(/C=N\NC(=O)Cc2cc(Cl)ccc2SC)c1OC
InChIInChI=1S/C19H21ClN2O3S/c1-4-25-16-7-5-6-13(19(16)24-2)12-21-22-18(23)11-14-10-15(20)8-9-17(14)26-3/h5-10,12H,4,11H2,1-3H3,(H,22,23)/b21-12-
InChIKeyQFBSECKOIAEIAZ-MTJSOVHGSA-N
MW392.91 g/mol
LogP4.16
Rot. Bonds8

About 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]acetamide

2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 110525403) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]acetamide
PubChem CID110525403
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]acetamide
SMILESCCOc1cccc(/C=N\NC(=O)Cc2cc(Cl)ccc2SC)c1OC
InChIInChI=1S/C19H21ClN2O3S/c1-4-25-16-7-5-6-13(19(16)24-2)12-21-22-18(23)11-14-10-15(20)8-9-17(14)26-3/h5-10,12H,4,11H2,1-3H3,(H,22,23)/b21-12-
InChIKeyQFBSECKOIAEIAZ-MTJSOVHGSA-N
XLogP4.16
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
CID 110525315
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 110525301
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 110525371
N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515359
N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-(5-chloro-2-methylsulfanylphenyl)acetamide
CID 110525349
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide
CID 110525339
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 136874830
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 136874809
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide
CID 110525151
2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
CID 110515731
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 110525442
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]acetamide
CID 136874829

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]acetamide (CID 110525403) is 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]acetamide is CCOc1cccc(/C=N\NC(=O)Cc2cc(Cl)ccc2SC)c1OC.
What is the InChIKey of 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is QFBSECKOIAEIAZ-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-4-25-16-7-5-6-13(19(16)24-2)12-21-22-18(23)11-14-10-15(20)8-9-17(14)26-3/h5-10,12H,4,11H2,1-3H3,(H,22,23)/b21-12-.
What are the key properties of 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]acetamide?
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 392.91 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 110525403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).