2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide

C10H11ClN2OS2 — CID 82182296

IUPAC2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide
SMILESNC(=S)CSCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C10H11ClN2OS2/c11-7-3-1-2-4-8(7)13-10(14)6-16-5-9(12)15/h1-4H,5-6H2,(H2,12,15)(H,13,14)
InChIKeyTWFDKKUPHDXKLK-UHFFFAOYSA-N
MW274.80 g/mol
LogP2.30
Rot. Bonds5

About 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide

2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide (PubChem CID 82182296) has the molecular formula C10H11ClN2OS2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide
PubChem CID82182296
Molecular FormulaC10H11ClN2OS2
Molecular Weight274.80 g/mol
Exact Mass274.00
IUPAC Name2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide
SMILESNC(=S)CSCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C10H11ClN2OS2/c11-7-3-1-2-4-8(7)13-10(14)6-16-5-9(12)15/h1-4H,5-6H2,(H2,12,15)(H,13,14)
InChIKeyTWFDKKUPHDXKLK-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 958766
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
CID 1265415
N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
2-amino-N-(2-chlorophenyl)acetamide;hydrochloride
CID 51051964
2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide
CID 63590322
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide
CID 82182310
N-(2-chlorophenyl)-2-(2,3,5,6-tetrachlorophenyl)sulfanylacetamide
CID 2822568
N-(2-chlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]acetamide
CID 2079379
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide (CID 82182296) is 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide is NC(=S)CSCC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide?
The InChIKey is TWFDKKUPHDXKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS2/c11-7-3-1-2-4-8(7)13-10(14)6-16-5-9(12)15/h1-4H,5-6H2,(H2,12,15)(H,13,14).
What are the key properties of 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide?
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide has a molecular weight of 274.80 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 82182296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).