[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate

C23H25N3O6S — CID 6160338

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
SMILESO=C(COC(=O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1)NC(=O)NC1CCCC1
InChIInChI=1S/C23H25N3O6S/c27-21(25-23(29)24-19-10-4-5-11-19)16-32-22(28)18-9-6-12-20(15-18)26-33(30,31)14-13-17-7-2-1-3-8-17/h1-3,6-9,12-15,19,26H,4-5,10-11,16H2,(H2,24,25,27,29)/b14-13+
InChIKeyJMMUJNIIYZDJPL-BUHFOSPRSA-N
MW471.54 g/mol
LogP3.02
Rot. Bonds8

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate (PubChem CID 6160338) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
PubChem CID6160338
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
SMILESO=C(COC(=O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1)NC(=O)NC1CCCC1
InChIInChI=1S/C23H25N3O6S/c27-21(25-23(29)24-19-10-4-5-11-19)16-32-22(28)18-9-6-12-20(15-18)26-33(30,31)14-13-17-7-2-1-3-8-17/h1-3,6-9,12-15,19,26H,4-5,10-11,16H2,(H2,24,25,27,29)/b14-13+
InChIKeyJMMUJNIIYZDJPL-BUHFOSPRSA-N
XLogP3.02
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate with MolForge

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Related Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
CID 2570571
[2-(1-adamantylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
CID 6245621
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 8836797
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate
CID 7838563
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 8821145
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate
CID 7768037
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413621
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010356
[2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 4829050
[2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2706798
(E)-N-(3-cyclopentyloxyphenyl)-2-phenylethenesulfonamide
CID 35547764
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2634322

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate (CID 6160338) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate is O=C(COC(=O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate?
The InChIKey is JMMUJNIIYZDJPL-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H25N3O6S/c27-21(25-23(29)24-19-10-4-5-11-19)16-32-22(28)18-9-6-12-20(15-18)26-33(30,31)14-13-17-7-2-1-3-8-17/h1-3,6-9,12-15,19,26H,4-5,10-11,16H2,(H2,24,25,27,29)/b14-13+.
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate has a molecular weight of 471.54 g/mol, XLogP of 3.02, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate is sourced from PubChem (CID 6160338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).