2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

C14H12Cl2N2OS2 — CID 126131430

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)N/N=C\c1cccs1
InChIInChI=1S/C14H12Cl2N2OS2/c15-12-4-1-5-13(16)11(12)8-20-9-14(19)18-17-7-10-3-2-6-21-10/h1-7H,8-9H2,(H,18,19)/b17-7-
InChIKeyJCOMIOYLYKOGMR-IDUWFGFVSA-N
MW359.30 g/mol
LogP4.44
Rot. Bonds6

About 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 126131430) has the molecular formula C14H12Cl2N2OS2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID126131430
Molecular FormulaC14H12Cl2N2OS2
Molecular Weight359.30 g/mol
Exact Mass357.98
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)N/N=C\c1cccs1
InChIInChI=1S/C14H12Cl2N2OS2/c15-12-4-1-5-13(16)11(12)8-20-9-14(19)18-17-7-10-3-2-6-21-10/h1-7H,8-9H2,(H,18,19)/b17-7-
InChIKeyJCOMIOYLYKOGMR-IDUWFGFVSA-N
XLogP4.44
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.44
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-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 25237585
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 126120947
methyl 2-[4-[(Z)-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126127575
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 126144862
N-[(Z)-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
CID 126117967
N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
CID 137130995
2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 15703243
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 171981130
2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 5331773
N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
CID 126123951
N-(2,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide
CID 6875689
2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 26871383

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (CID 126131430) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is O=C(CSCc1c(Cl)cccc1Cl)N/N=C\c1cccs1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is JCOMIOYLYKOGMR-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS2/c15-12-4-1-5-13(16)11(12)8-20-9-14(19)18-17-7-10-3-2-6-21-10/h1-7H,8-9H2,(H,18,19)/b17-7-.
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 359.30 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 126131430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).