methyl 3-[methylsulfonyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate

C15H20N2O5S — CID 113155932

IUPACmethyl 3-[methylsulfonyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate
SMILESCOC(=O)c1cccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C15H20N2O5S/c1-22-15(19)12-6-5-7-13(10-12)17(23(2,20)21)11-14(18)16-8-3-4-9-16/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeySQWXTBYRBYXDRH-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.86
Rot. Bonds5

About methyl 3-[methylsulfonyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate

methyl 3-[methylsulfonyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate (PubChem CID 113155932) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is methyl 3-[methylsulfonyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[methylsulfonyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate
PubChem CID113155932
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Namemethyl 3-[methylsulfonyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate
SMILESCOC(=O)c1cccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C15H20N2O5S/c1-22-15(19)12-6-5-7-13(10-12)17(23(2,20)21)11-14(18)16-8-3-4-9-16/h5-7,10H,3-4,8-9,11H2,1-2H3
InChIKeySQWXTBYRBYXDRH-UHFFFAOYSA-N
XLogP0.86
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[methylsulfonyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate with MolForge

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Related Compounds

N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]methanesulfonamide
CID 2222605
N-[2-(azetidin-1-yl)-2-oxoethyl]-N-[3-(methylamino)phenyl]methanesulfonamide
CID 59534419
methyl 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155927
methyl 3-[[2-(cyclohexylamino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155935
methyl 4-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156021
N-(3,4-dimethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 764239
methyl 3-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]benzoate
CID 113145586
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113156552
N-(2,6-diethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113154391
N-(2,6-difluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113157562
N-(4-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 1097974
methyl 3-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156002

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methylsulfonyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate?
The IUPAC name of methyl 3-[methylsulfonyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate (CID 113155932) is methyl 3-[methylsulfonyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate.
What is the SMILES notation for methyl 3-[methylsulfonyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate?
The canonical SMILES for methyl 3-[methylsulfonyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate is COC(=O)c1cccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1.
What is the InChIKey of methyl 3-[methylsulfonyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate?
The InChIKey is SQWXTBYRBYXDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-22-15(19)12-6-5-7-13(10-12)17(23(2,20)21)11-14(18)16-8-3-4-9-16/h5-7,10H,3-4,8-9,11H2,1-2H3.
What are the key properties of methyl 3-[methylsulfonyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate?
methyl 3-[methylsulfonyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate has a molecular weight of 340.40 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methylsulfonyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzoate is sourced from PubChem (CID 113155932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).