2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide

C15H15ClN2OS2 — CID 6876501

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1ccsc1/C=N/NC(=O)CSCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2OS2/c1-11-6-7-21-14(11)8-17-18-15(19)10-20-9-12-2-4-13(16)5-3-12/h2-8H,9-10H2,1H3,(H,18,19)/b17-8+
InChIKeyCVVZBMSDTLBBMR-CAOOACKPSA-N
MW338.89 g/mol
LogP4.09
Rot. Bonds6

About 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide (PubChem CID 6876501) has the molecular formula C15H15ClN2OS2 and a molecular weight of 338.89 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
PubChem CID6876501
Molecular FormulaC15H15ClN2OS2
Molecular Weight338.89 g/mol
Exact Mass338.03
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
SMILESCc1ccsc1/C=N/NC(=O)CSCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2OS2/c1-11-6-7-21-14(11)8-17-18-15(19)10-20-9-12-2-4-13(16)5-3-12/h2-8H,9-10H2,1H3,(H,18,19)/b17-8+
InChIKeyCVVZBMSDTLBBMR-CAOOACKPSA-N
XLogP4.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.89
LogP ≤ 54.09
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-Methylbenzyl)thio]-N'-(2-thienylmethylene)acetohydrazide
CID 8145047
2-(4-chlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 5334789
2-[(4-methylbenzyl)sulfanyl]-N'-[(3-methyl-2-thienyl)methylene]acetohydrazide
CID 6876912
2-(4-chlorophenyl)-N'-[(E)-(5-methylthiophen-2-yl)methylidene]acetohydrazide
CID 9686944
2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 5334945
2-Benzylsulfanyl-propionic acid thiophen-2-ylmethylene-hydrazide
CID 9592933
N'-benzylidene-2-[(4-chlorobenzyl)sulfanyl]acetohydrazide
CID 6877552
N'-(4-chlorobenzylidene)-2-thiophenecarbohydrazide
CID 6879915
N'-[(Z)-(2-chloro-6-fluorophenyl)methylidene]-2-(thiophen-2-yl)acetohydrazide
CID 5395166
(E)-N'-(2-chloro-6-fluorobenzylidene)-2-(thiophen-2-yl)acetohydrazide
CID 6862482
N'-(2-Chlorobenzylidene)-2-(2-thienyl)acetohydrazide
CID 5728067
N'-(4-Chlorobenzylidene)-2-(2-thienyl)acetohydrazide
CID 6869181

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide (CID 6876501) is 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide is Cc1ccsc1/C=N/NC(=O)CSCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
The InChIKey is CVVZBMSDTLBBMR-CAOOACKPSA-N. The full InChI is InChI=1S/C15H15ClN2OS2/c1-11-6-7-21-14(11)8-17-18-15(19)10-20-9-12-2-4-13(16)5-3-12/h2-8H,9-10H2,1H3,(H,18,19)/b17-8+.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide has a molecular weight of 338.89 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 6876501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).