2-(2-aminobutylsulfanyl)-N-(3,5-difluorophenyl)acetamide

C12H16F2N2OS — CID 66230836

IUPAC2-(2-aminobutylsulfanyl)-N-(3,5-difluorophenyl)acetamide
SMILESCCC(N)CSCC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2N2OS/c1-2-10(15)6-18-7-12(17)16-11-4-8(13)3-9(14)5-11/h3-5,10H,2,6-7,15H2,1H3,(H,16,17)
InChIKeyCZILWFHNTAMLPQ-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.37
Rot. Bonds6

About 2-(2-aminobutylsulfanyl)-N-(3,5-difluorophenyl)acetamide

2-(2-aminobutylsulfanyl)-N-(3,5-difluorophenyl)acetamide (PubChem CID 66230836) has the molecular formula C12H16F2N2OS and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(2-aminobutylsulfanyl)-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminobutylsulfanyl)-N-(3,5-difluorophenyl)acetamide
PubChem CID66230836
Molecular FormulaC12H16F2N2OS
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-(2-aminobutylsulfanyl)-N-(3,5-difluorophenyl)acetamide
SMILESCCC(N)CSCC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2N2OS/c1-2-10(15)6-18-7-12(17)16-11-4-8(13)3-9(14)5-11/h3-5,10H,2,6-7,15H2,1H3,(H,16,17)
InChIKeyCZILWFHNTAMLPQ-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminobutylsulfanyl)-N-(3-iodophenyl)acetamide
CID 66229191
2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide
CID 66231284
2-(2-aminobutylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide
CID 66228012
2-(2-aminobutylsulfanyl)-N-(4-nitrophenyl)acetamide
CID 66229400
2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide
CID 66228013
2-(3-aminopropylsulfanyl)-N-(3,5-difluorophenyl)acetamide
CID 66220054
2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 66229426
2-[2-(3,5-difluoroanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43241622
N-(3,5-difluorophenyl)butanamide
CID 17271988
2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 66229626
N-(3,5-difluorophenyl)-3-methylbutanamide
CID 2987889
2-(2-aminobutylsulfanyl)-N-(2-methylpropyl)acetamide
CID 66228725

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutylsulfanyl)-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-(2-aminobutylsulfanyl)-N-(3,5-difluorophenyl)acetamide (CID 66230836) is 2-(2-aminobutylsulfanyl)-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-(2-aminobutylsulfanyl)-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-(2-aminobutylsulfanyl)-N-(3,5-difluorophenyl)acetamide is CCC(N)CSCC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-(2-aminobutylsulfanyl)-N-(3,5-difluorophenyl)acetamide?
The InChIKey is CZILWFHNTAMLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2OS/c1-2-10(15)6-18-7-12(17)16-11-4-8(13)3-9(14)5-11/h3-5,10H,2,6-7,15H2,1H3,(H,16,17).
What are the key properties of 2-(2-aminobutylsulfanyl)-N-(3,5-difluorophenyl)acetamide?
2-(2-aminobutylsulfanyl)-N-(3,5-difluorophenyl)acetamide has a molecular weight of 274.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutylsulfanyl)-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 66230836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).