[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate

C19H20N2O4S — CID 7229689

IUPAC[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate
SMILESCNC(=O)NC(=O)[C@@H](OC(=O)CSc1ccccc1C)c1ccccc1
InChIInChI=1S/C19H20N2O4S/c1-13-8-6-7-11-15(13)26-12-16(22)25-17(14-9-4-3-5-10-14)18(23)21-19(24)20-2/h3-11,17H,12H2,1-2H3,(H2,20,21,23,24)/t17-/m0/s1
InChIKeyMXYHJKUPSPSVJH-KRWDZBQOSA-N
MW372.45 g/mol
LogP2.83
Rot. Bonds6

About [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate

[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate (PubChem CID 7229689) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate.

Molecular Properties

Compound Name[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate
PubChem CID7229689
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate
SMILESCNC(=O)NC(=O)[C@@H](OC(=O)CSc1ccccc1C)c1ccccc1
InChIInChI=1S/C19H20N2O4S/c1-13-8-6-7-11-15(13)26-12-16(22)25-17(14-9-4-3-5-10-14)18(23)21-19(24)20-2/h3-11,17H,12H2,1-2H3,(H2,20,21,23,24)/t17-/m0/s1
InChIKeyMXYHJKUPSPSVJH-KRWDZBQOSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676495
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795814
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 7776199
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate
CID 7228141
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7597072
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836399
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
CID 7722501
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate
CID 9139594
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetate
CID 8724943
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetate
CID 8724938
methyl 2-(2-methylphenyl)sulfanylacetate
CID 21235696
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(3-methylphenoxy)acetate
CID 7853562

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate?
The IUPAC name of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate (CID 7229689) is [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate.
What is the SMILES notation for [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate?
The canonical SMILES for [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate is CNC(=O)NC(=O)[C@@H](OC(=O)CSc1ccccc1C)c1ccccc1.
What is the InChIKey of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate?
The InChIKey is MXYHJKUPSPSVJH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-13-8-6-7-11-15(13)26-12-16(22)25-17(14-9-4-3-5-10-14)18(23)21-19(24)20-2/h3-11,17H,12H2,1-2H3,(H2,20,21,23,24)/t17-/m0/s1.
What are the key properties of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate?
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate has a molecular weight of 372.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate is sourced from PubChem (CID 7229689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).