2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide

C12H17FN2OS — CID 134064922

IUPAC2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide
SMILESCN(C)CCSCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H17FN2OS/c1-15(2)6-7-17-9-12(16)14-11-5-3-4-10(13)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,14,16)
InChIKeyRGYPHDBAKRRJPA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.06
Rot. Bonds6

About 2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide

2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide (PubChem CID 134064922) has the molecular formula C12H17FN2OS and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide
PubChem CID134064922
Molecular FormulaC12H17FN2OS
Molecular Weight256.35 g/mol
Exact Mass256.10
IUPAC Name2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide
SMILESCN(C)CCSCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H17FN2OS/c1-15(2)6-7-17-9-12(16)14-11-5-3-4-10(13)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,14,16)
InChIKeyRGYPHDBAKRRJPA-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide
CID 24706980
N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064800
3-[[3-(3-fluoroanilino)-3-oxopropyl]disulfanyl]-N-(3-fluorophenyl)propanamide
CID 44817242
3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide
CID 126824367
2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide
CID 30471958
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113138423
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
2-[4-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide
CID 43408515
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide
CID 60501159
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide (CID 134064922) is 2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide is CN(C)CCSCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide?
The InChIKey is RGYPHDBAKRRJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2OS/c1-15(2)6-7-17-9-12(16)14-11-5-3-4-10(13)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,14,16).
What are the key properties of 2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide?
2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide has a molecular weight of 256.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 134064922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).