2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide

C10H11FN2O2S — CID 107022570

IUPAC2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide
SMILESCNC(=O)CNC(=O)c1cc(S)ccc1F
InChIInChI=1S/C10H11FN2O2S/c1-12-9(14)5-13-10(15)7-4-6(16)2-3-8(7)11/h2-4,16H,5H2,1H3,(H,12,14)(H,13,15)
InChIKeyLEXVGGZASJGSJN-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.59
Rot. Bonds3

About 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide

2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide (PubChem CID 107022570) has the molecular formula C10H11FN2O2S and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide
PubChem CID107022570
Molecular FormulaC10H11FN2O2S
Molecular Weight242.27 g/mol
Exact Mass242.05
IUPAC Name2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide
SMILESCNC(=O)CNC(=O)c1cc(S)ccc1F
InChIInChI=1S/C10H11FN2O2S/c1-12-9(14)5-13-10(15)7-4-6(16)2-3-8(7)11/h2-4,16H,5H2,1H3,(H,12,14)(H,13,15)
InChIKeyLEXVGGZASJGSJN-UHFFFAOYSA-N
XLogP0.59
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 32559967
N-[2-(tert-butylamino)-2-oxoethyl]-2-fluoro-5-sulfanylbenzamide
CID 107033256
2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide
CID 107028407
N-[2-(carbamoylamino)ethyl]-2-fluoro-5-sulfanylbenzamide
CID 107034092
2-fluoro-N-hexyl-5-sulfanylbenzamide
CID 107030493
N-[(4-ethylphenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107037277
N-[2-(dimethylcarbamoylamino)ethyl]-2-fluoro-5-sulfanylbenzamide
CID 107034079
2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide
CID 107035038
N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107030046
2-fluoro-N-(5-methylsulfanylpentyl)-5-sulfanylbenzamide
CID 114129326
2-fluoro-N-(2-methylbutan-2-yl)-5-sulfanylbenzamide
CID 107019385
N-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide
CID 107023107

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide?
The IUPAC name of 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide (CID 107022570) is 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide.
What is the SMILES notation for 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide?
The canonical SMILES for 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide is CNC(=O)CNC(=O)c1cc(S)ccc1F.
What is the InChIKey of 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide?
The InChIKey is LEXVGGZASJGSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2S/c1-12-9(14)5-13-10(15)7-4-6(16)2-3-8(7)11/h2-4,16H,5H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide?
2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide has a molecular weight of 242.27 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide is sourced from PubChem (CID 107022570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).