2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide

C11H12ClN3O2S — CID 81202421

IUPAC2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)CS(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C11H12ClN3O2S/c12-9-3-2-8(14)6-10(9)18(17)7-11(16)15-5-1-4-13/h2-3,6H,1,5,7,14H2,(H,15,16)
InChIKeyFGJNVDMBHVJGBR-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.06
Rot. Bonds5

About 2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide

2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide (PubChem CID 81202421) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide
PubChem CID81202421
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)CS(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C11H12ClN3O2S/c12-9-3-2-8(14)6-10(9)18(17)7-11(16)15-5-1-4-13/h2-3,6H,1,5,7,14H2,(H,15,16)
InChIKeyFGJNVDMBHVJGBR-UHFFFAOYSA-N
XLogP1.06
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide
CID 81201988
2-(4-amino-2-fluorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide
CID 81192164
2-(2-aminophenyl)sulfinyl-N-(2-cyanoethyl)acetamide
CID 61368440
2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81201983
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-chlorophenyl)acetamide
CID 81201202
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81202410
4-(4-amino-2-chlorophenyl)sulfinylbutanenitrile
CID 81182706
2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81182538
2-(5-amino-2-chlorophenyl)sulfinyl-N-ethyl-N-methylacetamide
CID 81207763
2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide
CID 81185128
2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide
CID 81201509
4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide
CID 82832483

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide (CID 81202421) is 2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide is N#CCCNC(=O)CS(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide?
The InChIKey is FGJNVDMBHVJGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c12-9-3-2-8(14)6-10(9)18(17)7-11(16)15-5-1-4-13/h2-3,6H,1,5,7,14H2,(H,15,16).
What are the key properties of 2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide?
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide has a molecular weight of 285.76 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 81202421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).