[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate

C22H20N2O4S — CID 7795814

IUPAC[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESCNC(=O)NC(=O)[C@H](OC(=O)CSc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C22H20N2O4S/c1-23-22(27)24-21(26)20(16-8-3-2-4-9-16)28-19(25)14-29-18-12-11-15-7-5-6-10-17(15)13-18/h2-13,20H,14H2,1H3,(H2,23,24,26,27)/t20-/m1/s1
InChIKeyPSPINBRGWDVHHI-HXUWFJFHSA-N
MW408.48 g/mol
LogP3.67
Rot. Bonds6

About [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate (PubChem CID 7795814) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate.

Molecular Properties

Compound Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate
PubChem CID7795814
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESCNC(=O)NC(=O)[C@H](OC(=O)CSc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C22H20N2O4S/c1-23-22(27)24-21(26)20(16-8-3-2-4-9-16)28-19(25)14-29-18-12-11-15-7-5-6-10-17(15)13-18/h2-13,20H,14H2,1H3,(H2,23,24,26,27)/t20-/m1/s1
InChIKeyPSPINBRGWDVHHI-HXUWFJFHSA-N
XLogP3.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(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-(2-fluorophenyl)sulfanylacetate
CID 7676495
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7229689
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-2-carboxylate
CID 2674820
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836399
[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate
CID 9205201
[2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 3398800
[(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-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7700584
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
CID 7722501
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(3-methylphenoxy)acetate
CID 7853562

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate?
The IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate (CID 7795814) is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate.
What is the SMILES notation for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate?
The canonical SMILES for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate is CNC(=O)NC(=O)[C@H](OC(=O)CSc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate?
The InChIKey is PSPINBRGWDVHHI-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-23-22(27)24-21(26)20(16-8-3-2-4-9-16)28-19(25)14-29-18-12-11-15-7-5-6-10-17(15)13-18/h2-13,20H,14H2,1H3,(H2,23,24,26,27)/t20-/m1/s1.
What are the key properties of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate?
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate has a molecular weight of 408.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate is sourced from PubChem (CID 7795814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).