[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate

C17H14Cl2FNO3S — CID 8977409

IUPAC[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
SMILESC[C@@H](OC(=O)CSc1ccccc1F)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H14Cl2FNO3S/c1-10(17(23)21-16-11(18)5-4-6-12(16)19)24-15(22)9-25-14-8-3-2-7-13(14)20/h2-8,10H,9H2,1H3,(H,21,23)/t10-/m1/s1
InChIKeyNAMQCOZSUHGMPI-SNVBAGLBSA-N
MW402.27 g/mol
LogP4.80
Rot. Bonds6

About [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate

[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 8977409) has the molecular formula C17H14Cl2FNO3S and a molecular weight of 402.27 g/mol. Its IUPAC name is [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
PubChem CID8977409
Molecular FormulaC17H14Cl2FNO3S
Molecular Weight402.27 g/mol
Exact Mass401.01
IUPAC Name[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
SMILESC[C@@H](OC(=O)CSc1ccccc1F)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H14Cl2FNO3S/c1-10(17(23)21-16-11(18)5-4-6-12(16)19)24-15(22)9-25-14-8-3-2-7-13(14)20/h2-8,10H,9H2,1H3,(H,21,23)/t10-/m1/s1
InChIKeyNAMQCOZSUHGMPI-SNVBAGLBSA-N
XLogP4.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.27
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)sulfanylacetate
CID 29352832
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
CID 7354993
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
CID 7355052
[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
CID 8977391
[(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
CID 8977688
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
CID 8977630
N-(2,6-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 78656452
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
CID 8977664
[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate
CID 8947907
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(2-methylphenyl)sulfanylacetate
CID 7229618
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 55417139
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-methylphenyl)sulfanylacetate
CID 7229608

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate (CID 8977409) is [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate is C[C@@H](OC(=O)CSc1ccccc1F)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is NAMQCOZSUHGMPI-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H14Cl2FNO3S/c1-10(17(23)21-16-11(18)5-4-6-12(16)19)24-15(22)9-25-14-8-3-2-7-13(14)20/h2-8,10H,9H2,1H3,(H,21,23)/t10-/m1/s1.
What are the key properties of [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate?
[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 402.27 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 8977409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).