2-(4-chlorophenyl)sulfanyl-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide

C17H17ClN2O2S — CID 9121585

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1cccc(/C(C)=N\NC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2S/c1-12(13-4-3-5-15(10-13)22-2)19-20-17(21)11-23-16-8-6-14(18)7-9-16/h3-10H,11H2,1-2H3,(H,20,21)/b19-12-
InChIKeyDHFMXVTTXGFRAH-UNOMPAQXSA-N
MW348.86 g/mol
LogP3.98
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide

2-(4-chlorophenyl)sulfanyl-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide (PubChem CID 9121585) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
PubChem CID9121585
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1cccc(/C(C)=N\NC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2S/c1-12(13-4-3-5-15(10-13)22-2)19-20-17(21)11-23-16-8-6-14(18)7-9-16/h3-10H,11H2,1-2H3,(H,20,21)/b19-12-
InChIKeyDHFMXVTTXGFRAH-UNOMPAQXSA-N
XLogP3.98
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.98
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

2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 3786405
N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5422183
2-(4-chlorophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
CID 4646464
2-(2,4-dichlorophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 6027225
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
N-(benzhydrylideneamino)-2-(4-chlorophenyl)sulfanylacetamide
CID 2765790
2-(4-benzylpiperazin-1-yl)-N-[1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 4162502
[1-(3-methoxyphenyl)ethylideneamino]urea
CID 3676916
N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 4506053
N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4133967
3,5-dimethoxy-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]benzamide
CID 9461084
4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 35040935

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide (CID 9121585) is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide is COc1cccc(/C(C)=N\NC(=O)CSc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide?
The InChIKey is DHFMXVTTXGFRAH-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-12(13-4-3-5-15(10-13)22-2)19-20-17(21)11-23-16-8-6-14(18)7-9-16/h3-10H,11H2,1-2H3,(H,20,21)/b19-12-.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide has a molecular weight of 348.86 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 9121585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).