N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide

C24H21FN2O3S — CID 22780471

IUPACN-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Sc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H21FN2O3S/c1-15(28)17-5-9-20(10-6-17)26-23(29)16(2)31-22-13-11-21(12-14-22)27-24(30)18-3-7-19(25)8-4-18/h3-14,16H,1-2H3,(H,26,29)(H,27,30)
InChIKeyJRJOLNKRUWSONI-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.40
Rot. Bonds7

About N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide

N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide (PubChem CID 22780471) has the molecular formula C24H21FN2O3S and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
PubChem CID22780471
Molecular FormulaC24H21FN2O3S
Molecular Weight436.51 g/mol
Exact Mass436.13
IUPAC NameN-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Sc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H21FN2O3S/c1-15(28)17-5-9-20(10-6-17)26-23(29)16(2)31-22-13-11-21(12-14-22)27-24(30)18-3-7-19(25)8-4-18/h3-14,16H,1-2H3,(H,26,29)(H,27,30)
InChIKeyJRJOLNKRUWSONI-UHFFFAOYSA-N
XLogP5.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide
CID 2561528
N-[4-[1-(2-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 22778942
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504
N-[4-[1-(4-fluoroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 22775346
(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553826
4-chloro-3-[2-[4-[(4-fluorobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 23096992
4-[2-[4-[(4-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 22780080
N-[4-[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 22782706
(2R)-2-(4-fluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2639557
4-fluoro-N-[4-[1-[2-(4-nitrophenyl)sulfanylpropanoylamino]ethyl]phenyl]benzamide
CID 60538187
(2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740652

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide (CID 22780471) is N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide is CC(=O)c1ccc(NC(=O)C(C)Sc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide?
The InChIKey is JRJOLNKRUWSONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3S/c1-15(28)17-5-9-20(10-6-17)26-23(29)16(2)31-22-13-11-21(12-14-22)27-24(30)18-3-7-19(25)8-4-18/h3-14,16H,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide?
N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide has a molecular weight of 436.51 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide is sourced from PubChem (CID 22780471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).