N-(2-chlorophenyl)-2-sulfanylacetamide

C8H8ClNOS — CID 679489

IUPACN-(2-chlorophenyl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccccc1Cl
InChIInChI=1S/C8H8ClNOS/c9-6-3-1-2-4-7(6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11)
InChIKeyYWEROQPLZVORDW-UHFFFAOYSA-N
MW201.68 g/mol
LogP2.21
Rot. Bonds2

About N-(2-chlorophenyl)-2-sulfanylacetamide

N-(2-chlorophenyl)-2-sulfanylacetamide (PubChem CID 679489) has the molecular formula C8H8ClNOS and a molecular weight of 201.68 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-sulfanylacetamide
PubChem CID679489
Molecular FormulaC8H8ClNOS
Molecular Weight201.68 g/mol
Exact Mass201.00
IUPAC NameN-(2-chlorophenyl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccccc1Cl
InChIInChI=1S/C8H8ClNOS/c9-6-3-1-2-4-7(6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11)
InChIKeyYWEROQPLZVORDW-UHFFFAOYSA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.68
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
3-amino-N-(2-chlorophenyl)propanamide
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2-amino-N-(2-chlorophenyl)acetamide;hydrochloride
CID 51051964
N-(2-chlorophenyl)-2-nitroacetamide
CID 15013666
N-(2-chlorophenyl)-3-phenylsulfanylpropanamide
CID 7965800
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
N-(2-chlorophenyl)hexanamide
CID 4644560
2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide
CID 63590322
N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499380
N-(2-chlorophenyl)octanamide
CID 2292983
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-3-(ethylamino)propanamide
CID 62832290

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-sulfanylacetamide (CID 679489) is N-(2-chlorophenyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-sulfanylacetamide is O=C(CS)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-sulfanylacetamide?
The InChIKey is YWEROQPLZVORDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNOS/c9-6-3-1-2-4-7(6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11).
What are the key properties of N-(2-chlorophenyl)-2-sulfanylacetamide?
N-(2-chlorophenyl)-2-sulfanylacetamide has a molecular weight of 201.68 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-sulfanylacetamide is sourced from PubChem (CID 679489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).