2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide

C16H14Cl2N2O2S2 — CID 71330084

IUPAC2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CSSCC(=O)Nc1ccccc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C16H14Cl2N2O2S2/c17-11-5-1-3-7-13(11)19-15(21)9-23-24-10-16(22)20-14-8-4-2-6-12(14)18/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyQOODUAGAXZARHH-UHFFFAOYSA-N
MW401.34 g/mol
LogP4.95
Rot. Bonds7

About 2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide

2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide (PubChem CID 71330084) has the molecular formula C16H14Cl2N2O2S2 and a molecular weight of 401.34 g/mol. Its IUPAC name is 2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
PubChem CID71330084
Molecular FormulaC16H14Cl2N2O2S2
Molecular Weight401.34 g/mol
Exact Mass399.99
IUPAC Name2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CSSCC(=O)Nc1ccccc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C16H14Cl2N2O2S2/c17-11-5-1-3-7-13(11)19-15(21)9-23-24-10-16(22)20-14-8-4-2-6-12(14)18/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyQOODUAGAXZARHH-UHFFFAOYSA-N
XLogP4.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
N-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide
CID 2822568
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489
N-(2-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591754
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide
CID 82182296
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
2-amino-N-(2-chlorophenyl)acetamide;hydrochloride
CID 51051964
2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
CID 1265415
N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708525
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide (CID 71330084) is 2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide is O=C(CSSCC(=O)Nc1ccccc1Cl)Nc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide?
The InChIKey is QOODUAGAXZARHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2S2/c17-11-5-1-3-7-13(11)19-15(21)9-23-24-10-16(22)20-14-8-4-2-6-12(14)18/h1-8H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of 2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide?
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide has a molecular weight of 401.34 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 71330084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).