[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate

C19H21FN2O4S — CID 8999260

IUPAC[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
SMILESCC(C)[C@H](NC(=O)c1cccs1)C(=O)O[C@H](C)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H21FN2O4S/c1-11(2)16(22-18(24)15-8-5-9-27-15)19(25)26-12(3)17(23)21-14-7-4-6-13(20)10-14/h4-12,16H,1-3H3,(H,21,23)(H,22,24)/t12-,16+/m1/s1
InChIKeyQHURUPNPHIBJFQ-WBMJQRKESA-N
MW392.45 g/mol
LogP3.21
Rot. Bonds7

About [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate

[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate (PubChem CID 8999260) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate.

Molecular Properties

Compound Name[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
PubChem CID8999260
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
SMILESCC(C)[C@H](NC(=O)c1cccs1)C(=O)O[C@H](C)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H21FN2O4S/c1-11(2)16(22-18(24)15-8-5-9-27-15)19(25)26-12(3)17(23)21-14-7-4-6-13(20)10-14/h4-12,16H,1-3H3,(H,21,23)(H,22,24)/t12-,16+/m1/s1
InChIKeyQHURUPNPHIBJFQ-WBMJQRKESA-N
XLogP3.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate 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

[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 8999258
[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 8999279
N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756514
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 8558087
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8981808
(1-amino-1-oxopropan-2-yl) 3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 45354563
N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51194882
N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide
CID 46539957
N-[1-(2,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195159
N-[1-(3,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195196
[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 9307165
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 46625233

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate?
The IUPAC name of [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate (CID 8999260) is [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate.
What is the SMILES notation for [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate?
The canonical SMILES for [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate is CC(C)[C@H](NC(=O)c1cccs1)C(=O)O[C@H](C)C(=O)Nc1cccc(F)c1.
What is the InChIKey of [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate?
The InChIKey is QHURUPNPHIBJFQ-WBMJQRKESA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-11(2)16(22-18(24)15-8-5-9-27-15)19(25)26-12(3)17(23)21-14-7-4-6-13(20)10-14/h4-12,16H,1-3H3,(H,21,23)(H,22,24)/t12-,16+/m1/s1.
What are the key properties of [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate?
[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate has a molecular weight of 392.45 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate is sourced from PubChem (CID 8999260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).