[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate

C18H24N2O5S — CID 11916330

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
SMILESCC[S@](=O)c1ccccc1C(=O)OCC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C18H24N2O5S/c1-2-26(24)15-11-7-6-10-14(15)17(22)25-12-16(21)20-18(23)19-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H2,19,20,21,23)/t26-/m0/s1
InChIKeyUNJYPMCOYNCFEK-SANMLTNESA-N
MW380.47 g/mol
LogP2.13
Rot. Bonds6

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate (PubChem CID 11916330) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
PubChem CID11916330
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
SMILESCC[S@](=O)c1ccccc1C(=O)OCC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C18H24N2O5S/c1-2-26(24)15-11-7-6-10-14(15)17(22)25-12-16(21)20-18(23)19-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H2,19,20,21,23)/t26-/m0/s1
InChIKeyUNJYPMCOYNCFEK-SANMLTNESA-N
XLogP2.13
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-ethylsulfinylbenzoate
CID 55490539
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8983827
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 7797585
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596658
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7890943
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2648611
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11916256
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 3939967
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11909138
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771385
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate
CID 7211666
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2451959

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate (CID 11916330) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate is CC[S@](=O)c1ccccc1C(=O)OCC(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate?
The InChIKey is UNJYPMCOYNCFEK-SANMLTNESA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-2-26(24)15-11-7-6-10-14(15)17(22)25-12-16(21)20-18(23)19-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H2,19,20,21,23)/t26-/m0/s1.
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate has a molecular weight of 380.47 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate is sourced from PubChem (CID 11916330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).