methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate

C19H20N2O5S — CID 35530952

IUPACmethyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C19H20N2O5S/c1-13-5-6-14(19(23)26-2)12-17(13)27(24,25)20-15-7-9-16(10-8-15)21-11-3-4-18(21)22/h5-10,12,20H,3-4,11H2,1-2H3
InChIKeySAMZDDSGPSVOCZ-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.71
Rot. Bonds5

About methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate

methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate (PubChem CID 35530952) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate
PubChem CID35530952
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Namemethyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C19H20N2O5S/c1-13-5-6-14(19(23)26-2)12-17(13)27(24,25)20-15-7-9-16(10-8-15)21-11-3-4-18(21)22/h5-10,12,20H,3-4,11H2,1-2H3
InChIKeySAMZDDSGPSVOCZ-UHFFFAOYSA-N
XLogP2.71
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate with MolForge

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Related Compounds

3-[(3,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 30399937
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 30379951
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558
methyl 4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoate
CID 92686187
methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35506738
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
3-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100745693
N-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzamide
CID 26781606
dimethyl 5-[[3-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate
CID 26268468
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate
CID 30805358
N,N-dimethyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 24580878

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate (CID 35530952) is methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate is COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate?
The InChIKey is SAMZDDSGPSVOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-13-5-6-14(19(23)26-2)12-17(13)27(24,25)20-15-7-9-16(10-8-15)21-11-3-4-18(21)22/h5-10,12,20H,3-4,11H2,1-2H3.
What are the key properties of methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate?
methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate has a molecular weight of 388.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 35530952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).