[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate

C21H21FN2O4S — CID 8601192

IUPAC[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
SMILESO=C(CSCC(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C21H21FN2O4S/c22-16-8-4-5-9-17(16)24-18(25)12-29-13-19(26)28-20(14-6-2-1-3-7-14)21(27)23-15-10-11-15/h1-9,15,20H,10-13H2,(H,23,27)(H,24,25)/t20-/m1/s1
InChIKeyUOYJIFVVCYECKJ-HXUWFJFHSA-N
MW416.47 g/mol
LogP3.06
Rot. Bonds9

About [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate (PubChem CID 8601192) has the molecular formula C21H21FN2O4S and a molecular weight of 416.47 g/mol. Its IUPAC name is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate.

Molecular Properties

Compound Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
PubChem CID8601192
Molecular FormulaC21H21FN2O4S
Molecular Weight416.47 g/mol
Exact Mass416.12
IUPAC Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
SMILESO=C(CSCC(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C21H21FN2O4S/c22-16-8-4-5-9-17(16)24-18(25)12-29-13-19(26)28-20(14-6-2-1-3-7-14)21(27)23-15-10-11-15/h1-9,15,20H,10-13H2,(H,23,27)(H,24,25)/t20-/m1/s1
InChIKeyUOYJIFVVCYECKJ-HXUWFJFHSA-N
XLogP3.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]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-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812585
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate
CID 8514509
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate
CID 8601229
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812600
benzyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812607
2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide
CID 18272928
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9414934
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 46825293
2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 79683205
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667519
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 45354130
N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 60623801

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate?
The IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate (CID 8601192) is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate.
What is the SMILES notation for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate?
The canonical SMILES for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate is O=C(CSCC(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1)Nc1ccccc1F.
What is the InChIKey of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate?
The InChIKey is UOYJIFVVCYECKJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21FN2O4S/c22-16-8-4-5-9-17(16)24-18(25)12-29-13-19(26)28-20(14-6-2-1-3-7-14)21(27)23-15-10-11-15/h1-9,15,20H,10-13H2,(H,23,27)(H,24,25)/t20-/m1/s1.
What are the key properties of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate?
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate has a molecular weight of 416.47 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate is sourced from PubChem (CID 8601192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).