N-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide

C18H19FN2O2S — CID 8744220

IUPACN-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
SMILESCC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2S/c1-12(2)20-17(22)11-24-16-6-4-3-5-15(16)18(23)21-14-9-7-13(19)8-10-14/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRCDJXPBBLYJWCC-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.69
Rot. Bonds6

About N-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide

N-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide (PubChem CID 8744220) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
PubChem CID8744220
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC NameN-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
SMILESCC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2S/c1-12(2)20-17(22)11-24-16-6-4-3-5-15(16)18(23)21-14-9-7-13(19)8-10-14/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRCDJXPBBLYJWCC-UHFFFAOYSA-N
XLogP3.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-difluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55453856
S-[4-[[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529745
N-(4-ethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 8745389
N-(3,5-dimethoxyphenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 9096637
N-(2-chloro-4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55345757
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55971085
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55389585
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55919792
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate
CID 7605429
2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)benzamide
CID 112760767
N-(1,3-benzodioxol-5-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzamide
CID 17429171
N-cyclopropyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 9165626

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide (CID 8744220) is N-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide is CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide?
The InChIKey is RCDJXPBBLYJWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-12(2)20-17(22)11-24-16-6-4-3-5-15(16)18(23)21-14-9-7-13(19)8-10-14/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide?
N-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide has a molecular weight of 346.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide is sourced from PubChem (CID 8744220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).