[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate

C19H20N2O4S — CID 7842838

IUPAC[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate
SMILESCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O4S/c1-13(17(22)21-19(24)20-2)25-18(23)16(14-9-5-3-6-10-14)26-15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H2,20,21,22,24)/t13-,16+/m1/s1
InChIKeyQIGIGVGQMIASRU-CJNGLKHVSA-N
MW372.45 g/mol
LogP2.91
Rot. Bonds6

About [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate

[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate (PubChem CID 7842838) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate.

Molecular Properties

Compound Name[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate
PubChem CID7842838
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate
SMILESCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O4S/c1-13(17(22)21-19(24)20-2)25-18(23)16(14-9-5-3-6-10-14)26-15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H2,20,21,22,24)/t13-,16+/m1/s1
InChIKeyQIGIGVGQMIASRU-CJNGLKHVSA-N
XLogP2.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate 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] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821241
(2R)-2-(4-bromophenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide
CID 2675016
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842858
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821236
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842871
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 7842813
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 8821233
[(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 2386634
1-O-methyl 2-O-[1-(methylcarbamoylamino)-1-oxopropan-2-yl] benzene-1,2-dicarboxylate
CID 56504468
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate
CID 7752693
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate
CID 8526457
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842774

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate?
The IUPAC name of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate (CID 7842838) is [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate.
What is the SMILES notation for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate?
The canonical SMILES for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate is CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate?
The InChIKey is QIGIGVGQMIASRU-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-13(17(22)21-19(24)20-2)25-18(23)16(14-9-5-3-6-10-14)26-15-11-7-4-8-12-15/h3-13,16H,1-2H3,(H2,20,21,22,24)/t13-,16+/m1/s1.
What are the key properties of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate?
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate has a molecular weight of 372.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenyl-2-phenylsulfanylacetate is sourced from PubChem (CID 7842838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).