[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

C17H20N4O5S — CID 18155209

IUPAC[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1ccccc1SCc1nc(C)no1
InChIInChI=1S/C17H20N4O5S/c1-4-18-17(24)20-15(22)10(2)25-16(23)12-7-5-6-8-13(12)27-9-14-19-11(3)21-26-14/h5-8,10H,4,9H2,1-3H3,(H2,18,20,22,24)
InChIKeyVNTPPEWMCPTHEX-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.06
Rot. Bonds7

About [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate (PubChem CID 18155209) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate.

Molecular Properties

Compound Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
PubChem CID18155209
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1ccccc1SCc1nc(C)no1
InChIInChI=1S/C17H20N4O5S/c1-4-18-17(24)20-15(22)10(2)25-16(23)12-7-5-6-8-13(12)27-9-14-19-11(3)21-26-14/h5-8,10H,4,9H2,1-3H3,(H2,18,20,22,24)
InChIKeyVNTPPEWMCPTHEX-UHFFFAOYSA-N
XLogP2.06
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate 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

(4-methylsulfanylphenyl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
CID 46530236
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11927055
N-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 18154994
[2-(tert-butylamino)-2-oxoethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
CID 18155183
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 33255161
(4-acetylphenyl) 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
CID 18155009
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-ethylsulfanylbenzoate
CID 8959482
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-ethylsulfanylbenzoate
CID 8959481
[2-(2-methylanilino)-2-oxoethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
CID 18155168
N-ethyl-4-methyl-3-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide
CID 55782764
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate
CID 16528074
N-[3-(methylamino)propyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 119431497

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate?
The IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate (CID 18155209) is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate.
What is the SMILES notation for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate?
The canonical SMILES for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate is CCNC(=O)NC(=O)C(C)OC(=O)c1ccccc1SCc1nc(C)no1.
What is the InChIKey of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate?
The InChIKey is VNTPPEWMCPTHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-4-18-17(24)20-15(22)10(2)25-16(23)12-7-5-6-8-13(12)27-9-14-19-11(3)21-26-14/h5-8,10H,4,9H2,1-3H3,(H2,18,20,22,24).
What are the key properties of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate?
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate has a molecular weight of 392.44 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate is sourced from PubChem (CID 18155209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).