N-(3-fluorophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide

C13H17FN2OS — CID 114187533

IUPACN-(3-fluorophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide
SMILESC=CCSCCNCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H17FN2OS/c1-2-7-18-8-6-15-10-13(17)16-12-5-3-4-11(14)9-12/h2-5,9,15H,1,6-8,10H2,(H,16,17)
InChIKeyDJKLYGOBPPYLIX-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.27
Rot. Bonds8

About N-(3-fluorophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide

N-(3-fluorophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide (PubChem CID 114187533) has the molecular formula C13H17FN2OS and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide
PubChem CID114187533
Molecular FormulaC13H17FN2OS
Molecular Weight268.36 g/mol
Exact Mass268.10
IUPAC NameN-(3-fluorophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide
SMILESC=CCSCCNCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H17FN2OS/c1-2-7-18-8-6-15-10-13(17)16-12-5-3-4-11(14)9-12/h2-5,9,15H,1,6-8,10H2,(H,16,17)
InChIKeyDJKLYGOBPPYLIX-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-but-3-enoxyethylamino)-N-(3-fluorophenyl)acetamide
CID 106401479
N-(4-bromophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide
CID 114187612
N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745242
N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide
CID 113268571
N-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397
2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide
CID 24706980
N-ethyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]acetamide
CID 43401714
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
N-[2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 115571346
3-[[3-(3-fluoroanilino)-3-oxopropyl]disulfanyl]-N-(3-fluorophenyl)propanamide
CID 44817242
N-(3-fluorophenyl)-2-(2-morpholin-4-ylethylamino)acetamide
CID 28583111

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide (CID 114187533) is N-(3-fluorophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide is C=CCSCCNCC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide?
The InChIKey is DJKLYGOBPPYLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2OS/c1-2-7-18-8-6-15-10-13(17)16-12-5-3-4-11(14)9-12/h2-5,9,15H,1,6-8,10H2,(H,16,17).
What are the key properties of N-(3-fluorophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide?
N-(3-fluorophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide has a molecular weight of 268.36 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide is sourced from PubChem (CID 114187533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).