[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(methanesulfonamido)benzoate

C15H22N2O5S — CID 3952899

IUPAC[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(methanesulfonamido)benzoate
SMILESCCCC(C)NC(=O)COC(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O5S/c1-4-6-11(2)16-14(18)10-22-15(19)12-7-5-8-13(9-12)17-23(3,20)21/h5,7-9,11,17H,4,6,10H2,1-3H3,(H,16,18)
InChIKeyJQGHZKYRJZOYLG-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.52
Rot. Bonds8

About [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(methanesulfonamido)benzoate

[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(methanesulfonamido)benzoate (PubChem CID 3952899) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(methanesulfonamido)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(methanesulfonamido)benzoate
PubChem CID3952899
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(methanesulfonamido)benzoate
SMILESCCCC(C)NC(=O)COC(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O5S/c1-4-6-11(2)16-14(18)10-22-15(19)12-7-5-8-13(9-12)17-23(3,20)21/h5,7-9,11,17H,4,6,10H2,1-3H3,(H,16,18)
InChIKeyJQGHZKYRJZOYLG-UHFFFAOYSA-N
XLogP1.52
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(methanesulfonamido)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

Metabutethamine
CID 11115
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 2388958
N-[(5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.17,11]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl]-N-methylmethanesulfonamide
CID 44433593
Metabutethamine Hydrochloride
CID 11114
[2-Oxo-2-(propylcarbamoylamino)ethyl] 3-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 2114994
Carbamoylmethyl 3-(2-phenylethenesulfonamido)benzoate
CID 2127405
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(dimethylamino)benzoate
CID 2370487
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 2427626
[2-(2-Methylpropylamino)-2-oxoethyl] 4-[(2-methylphenyl)sulfamoyl]benzoate
CID 2540963
Ethyl 3-{[ethoxy(oxo)acetyl]amino}benzoate
CID 2905464
3-(Methanesulfonamido)benzoic acid [1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester
CID 2998821
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-(dimethylamino)benzoate
CID 2999801

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(methanesulfonamido)benzoate?
The IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(methanesulfonamido)benzoate (CID 3952899) is [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(methanesulfonamido)benzoate.
What is the SMILES notation for [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(methanesulfonamido)benzoate?
The canonical SMILES for [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(methanesulfonamido)benzoate is CCCC(C)NC(=O)COC(=O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(methanesulfonamido)benzoate?
The InChIKey is JQGHZKYRJZOYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-4-6-11(2)16-14(18)10-22-15(19)12-7-5-8-13(9-12)17-23(3,20)21/h5,7-9,11,17H,4,6,10H2,1-3H3,(H,16,18).
What are the key properties of [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(methanesulfonamido)benzoate?
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(methanesulfonamido)benzoate has a molecular weight of 342.42 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-2-ylamino)ethyl] 3-(methanesulfonamido)benzoate is sourced from PubChem (CID 3952899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).