2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide

C10H10ClFN2OS2 — CID 82182310

IUPAC2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide
SMILESNC(=S)CSCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10ClFN2OS2/c11-7-3-6(1-2-8(7)12)14-10(15)5-17-4-9(13)16/h1-3H,4-5H2,(H2,13,16)(H,14,15)
InChIKeyXBOMFBRHFLUSHK-UHFFFAOYSA-N
MW292.79 g/mol
LogP2.44
Rot. Bonds5

About 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide

2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 82182310) has the molecular formula C10H10ClFN2OS2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID82182310
Molecular FormulaC10H10ClFN2OS2
Molecular Weight292.79 g/mol
Exact Mass291.99
IUPAC Name2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide
SMILESNC(=S)CSCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10ClFN2OS2/c11-7-3-6(1-2-8(7)12)14-10(15)5-17-4-9(13)16/h1-3H,4-5H2,(H2,13,16)(H,14,15)
InChIKeyXBOMFBRHFLUSHK-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 52.44
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-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 710279
N-(3-chloro-4-fluorophenyl)-2-prop-2-enylsulfanylacetamide
CID 3393731
N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 2798260
N-(3-chloro-4-fluorophenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 7959729
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
2-[1-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65443101
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide
CID 82182296
2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide
CID 2075802
2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 993101
N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4027628
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide (CID 82182310) is 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide is NC(=S)CSCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is XBOMFBRHFLUSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2OS2/c11-7-3-6(1-2-8(7)12)14-10(15)5-17-4-9(13)16/h1-3H,4-5H2,(H2,13,16)(H,14,15).
What are the key properties of 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide?
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 292.79 g/mol, XLogP of 2.44, 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-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 82182310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).