N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide

C18H19FN2O2S — CID 9489358

IUPACN-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide
SMILESCCNC(=O)CNC(=O)c1ccccc1SCc1ccccc1F
InChIInChI=1S/C18H19FN2O2S/c1-2-20-17(22)11-21-18(23)14-8-4-6-10-16(14)24-12-13-7-3-5-9-15(13)19/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyQAJOUJOQFPGGJF-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.98
Rot. Bonds7

About N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide

N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide (PubChem CID 9489358) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide
PubChem CID9489358
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide
SMILESCCNC(=O)CNC(=O)c1ccccc1SCc1ccccc1F
InChIInChI=1S/C18H19FN2O2S/c1-2-20-17(22)11-21-18(23)14-8-4-6-10-16(14)24-12-13-7-3-5-9-15(13)19/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyQAJOUJOQFPGGJF-UHFFFAOYSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9489372
2-[(2-fluorophenyl)methylsulfanyl]benzoic acid
CID 2462926
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate
CID 8647587
2-benzylsulfanyl-N-ethylbenzamide
CID 894590
N-[2-(ethylamino)-2-oxoethyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78886751
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 18168717
N-[2-(ethylamino)-2-oxoethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 9224560
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]butanoic acid
CID 43387751
2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide
CID 65110344

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide (CID 9489358) is N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide is CCNC(=O)CNC(=O)c1ccccc1SCc1ccccc1F.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide?
The InChIKey is QAJOUJOQFPGGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-2-20-17(22)11-21-18(23)14-8-4-6-10-16(14)24-12-13-7-3-5-9-15(13)19/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide?
N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide has a molecular weight of 346.43 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]benzamide is sourced from PubChem (CID 9489358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).