[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate

C21H24N2O4S — CID 8821233

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O4S/c1-15(2)13-22-21(26)23-18(24)14-27-20(25)19(16-9-5-3-6-10-16)28-17-11-7-4-8-12-17/h3-12,15,19H,13-14H2,1-2H3,(H2,22,23,24,26)/t19-/m0/s1
InChIKeyONMCDVDVFIKHFQ-IBGZPJMESA-N
MW400.50 g/mol
LogP3.55
Rot. Bonds8

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate (PubChem CID 8821233) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
PubChem CID8821233
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N2O4S/c1-15(2)13-22-21(26)23-18(24)14-27-20(25)19(16-9-5-3-6-10-16)28-17-11-7-4-8-12-17/h3-12,15,19H,13-14H2,1-2H3,(H2,22,23,24,26)/t19-/m0/s1
InChIKeyONMCDVDVFIKHFQ-IBGZPJMESA-N
XLogP3.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842774
(2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842927
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842805
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 2365823
[2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821265
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 8821219
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821217
[2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 2520789
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2509041
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]propanoate
CID 42898503
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 2389381
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] naphthalene-1-carboxylate
CID 2558366

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate (CID 8821233) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate is CC(C)CNC(=O)NC(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate?
The InChIKey is ONMCDVDVFIKHFQ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-15(2)13-22-21(26)23-18(24)14-27-20(25)19(16-9-5-3-6-10-16)28-17-11-7-4-8-12-17/h3-12,15,19H,13-14H2,1-2H3,(H2,22,23,24,26)/t19-/m0/s1.
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate has a molecular weight of 400.50 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate is sourced from PubChem (CID 8821233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).