methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate

C19H20N2O7S — CID 30805358

IUPACmethyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate
SMILESCOC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1
InChIInChI=1S/C19H20N2O7S/c1-12-4-5-14(19(24)28-3)10-16(12)29(25,26)21-15-8-6-13(7-9-15)18(23)20-11-17(22)27-2/h4-10,21H,11H2,1-3H3,(H,20,23)
InChIKeyCESDHLKLMVRXDJ-UHFFFAOYSA-N
MW420.44 g/mol
LogP1.49
Rot. Bonds7

About methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate

methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate (PubChem CID 30805358) has the molecular formula C19H20N2O7S and a molecular weight of 420.44 g/mol. Its IUPAC name is methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate
PubChem CID30805358
Molecular FormulaC19H20N2O7S
Molecular Weight420.44 g/mol
Exact Mass420.10
IUPAC Namemethyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate
SMILESCOC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1
InChIInChI=1S/C19H20N2O7S/c1-12-4-5-14(19(24)28-3)10-16(12)29(25,26)21-15-8-6-13(7-9-15)18(23)20-11-17(22)27-2/h4-10,21H,11H2,1-3H3,(H,20,23)
InChIKeyCESDHLKLMVRXDJ-UHFFFAOYSA-N
XLogP1.49
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate 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

methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 24517108
methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35506738
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589
methyl 3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]-4-methylbenzoate
CID 55624593
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate
CID 55638896
dimethyl 2-[(3,4-dimethylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26952290
propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate
CID 56536549
methyl 4-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzoate
CID 35530952
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 119507136

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate?
The IUPAC name of methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate (CID 30805358) is methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate is COC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1.
What is the InChIKey of methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate?
The InChIKey is CESDHLKLMVRXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O7S/c1-12-4-5-14(19(24)28-3)10-16(12)29(25,26)21-15-8-6-13(7-9-15)18(23)20-11-17(22)27-2/h4-10,21H,11H2,1-3H3,(H,20,23).
What are the key properties of methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate?
methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate has a molecular weight of 420.44 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate is sourced from PubChem (CID 30805358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).